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7-Methoxycoumarin-4-acetic acid - ≥95% CAS No(62935-72-2) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥95%

Synonyms

SR-01000234450 | (7-methoxy-2-oxo-2H-chromen-4-yl)acetic acid | (7-Methoxy-2-oxo-2H-chromen-4-yl)-acetic acid | 7-Methoxycoumarin-4-acetic acid | NSC 378137 | SR-01000234450-1 | Z276516410 | ZEKAXIFHLIITGV-UHFFFAOYSA-N | 2-(7-methoxy-2-oxo-2H-chromen-4-yl

Storage

Room temperature

Shipped In

Normal

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Referencias Calculadoras de soluciones Reseñas

Specifications

Sinónimos

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid	488189541
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189541
Sonrisas canónicas	COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
IUPAC Name	2-(7-methoxy-2-oxochromen-4-yl)acetic acid
InChIKey	ZEKAXIFHLIITGV-UHFFFAOYSA-N
INCHI	1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
Isómeros SMILES	COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O
WGK Alemania	3
Peso molecular	234.2
Reaxy-Rn	221128
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=221128&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Clase Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Clase	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Descripción	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	monocarboxylic acid
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

Estructura 3D

Objetivos asociados (humanos)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

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

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
H2220415	Certificate of Analysis	Jun 08, 2026	M185662
H2220416	Certificate of Analysis	Jun 08, 2026	M185662
H2220417	Certificate of Analysis	Jun 08, 2026	M185662
H2220418	Certificate of Analysis	Jun 08, 2026	M185662
C2208121	Certificate of Analysis	Dec 12, 2025	M185662
L2420224	Certificate of Analysis	Jun 12, 2022	M185662

Solubilidad	Soluble in acetone and dimethyl sulfoxide.
Sensibilidad	light sensitive
Punto de inflamación (°F)	188.6 °F
Punto de inflamación (°C)	87 °C
Punto de fusión (°C)	193°C
Peso molecular	234.200 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	234.053 Da
Monoisotopic Mass	234.053 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	360.000
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

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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