Coumarin 337 - ≥98% , CAS No.55804-68-7

Name: Coumarin 337 - ≥98% , CAS No.55804-68-7
Brand: Aladdin Scientific
SKU: C153975
Availability: InStock

CAS: 55804-68-7 Cat. No.: C153975 Molecular Weight: 266.3 EC Number: 259-827-2

COA

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Coumarin 337 - ≥98% CAS No(55804-68-7) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%

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%

Names and Identifiers

Pubchem Sid	504754659
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754659
Canonical Smiles	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1
IUPAC Name	4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
InChIKey	LGDDFMCJIHJNMK-UHFFFAOYSA-N
INCHI	1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2
Isomeric SMILES	C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1
Molecular Weight	266.3
Reaxy-Rn	7038595
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7038595&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 Phenylpropanoids and polyketides
  - Class Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	Hydroquinolines 1-benzopyrans Dialkylarylamines Pyranones and derivatives Aralkylamines Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - Tetrahydroquinoline - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Aralkylamine - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Tertiary amine - Carbonitrile - Nitrile - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
H23071093	Certificate of Analysis	Jul 24, 2023	C153975
H23071096	Certificate of Analysis	Jul 24, 2023	C153975
H2307867	Certificate of Analysis	Jul 24, 2023	C153975
H2307869	Certificate of Analysis	Jul 24, 2023	C153975
H2307872	Certificate of Analysis	Jul 24, 2023	C153975
H2307888	Certificate of Analysis	Jul 24, 2023	C153975

Molecular Weight	266.290 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	266.106 Da
Monoisotopic Mass	266.106 Da
Topological Polar Surface Area	53.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	518.000
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