4-oxo-4H-chromen-3-carbaldehyde - ≥98%(GC) , CAS No.17422-74-1

CAS: 17422-74-1 Cat. No.: O132287 Molecular Weight: 174.16 Beilstein Registry Number: 17(5)11,357 EC Number: 241-451-5

1 Citations COA

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4-oxo-4H-chromen-3-carbaldehyde - ≥98%(GC) CAS No(17422-74-1) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%(GC)

Synonyms

4-oxo-chromene-3-carbaldehyde | 4-oxochromene-3-carbaldehyde | 4-Oxo-4H-chromene-3-carbaldehyde | NSC291317 | NSC-291317 | Z85926236 | EINECS 241-451-5 | 4-oxo-1-benzopyran-3-carboxaldehyde | NCI60_002396 | STK519609 | UNII-BLA42VBH65 | MFCD00182114 | ((5

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product References Solution Calculators Reviews

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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Electrospray ionization mass spectrometry (ESI-MS) of protonated 3-formylchromone (3-FC) shows loss of H2 as a major fragmentation route to yield a ketene cation, which on reaction with water forms a protonated carboxylic acid. The invivo salubrious effects of 3-FC against nitrosodiethylamine (NDEA) mediated early hepatocellular carcinogenesis has been investigated.Synthesis and characterization of 3-FC and its derivatives has been reported.

Specifications

Synonyms

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid	504755865
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755865
Canonical Smiles	C1=CC=C2C(=C1)C(=O)C(=CO2)C=O
IUPAC Name	4-oxochromene-3-carbaldehyde
InChIKey	FSMYWBQIMDSGQP-UHFFFAOYSA-N
INCHI	1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C(=CO2)C=O
WGK Germany	3
Molecular Weight	174.16
Beilstein	17(5)11,357
Reaxy-Rn	472849
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=472849&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Pyranones and derivatives Aryl-aldehydes Benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Aryl-aldehyde - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
C2115109	Certificate of Analysis	Jun 09, 2026	O132287
C2115110	Certificate of Analysis	Jun 09, 2026	O132287
G2221083	Certificate of Analysis	Feb 04, 2026	O132287
G2221085	Certificate of Analysis	Feb 04, 2026	O132287
G2221086	Certificate of Analysis	Feb 04, 2026	O132287
L2327044	Certificate of Analysis	Oct 11, 2025	O132287
K1525060	Certificate of Analysis	Jul 09, 2025	O132287

Sensitivity	Air Sensitive
Melt Point(°C)	150-154°C
Molecular Weight	174.150 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	174.032 Da
Monoisotopic Mass	174.032 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	267.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1