4H-1-Benzopyran-2-carbonitrile, 7-methyl-4-oxo-

HCID 214622

Notes Reactions

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Basic information

CAS: 33543-97-4
Standard SMILES: Cc1ccc2c(=O)cc(C#N)oc2c1
InChIKey: ZHMQPQWBQMSIJM-UHFFFAOYSA-N
Molecular formula: C11H7NO2
Average molar mass: 185.18 g/mol
Monoisotopic mass: 185.04767847

Names & identifiers

Preferred name: 4H-1-Benzopyran-2-carbonitrile, 7-methyl-4-oxo-
IUPAC: 7-methyl-4-oxochromene-2-carbonitrile

Names & synonyms

33543-97-44H-1-Benzopyran-2-carbonitrile, 7-methyl-4-oxo-BRN 13699057-Methyl-4-oxo-4H-1-benzopyran-2-carbonitrileDTXSID101872105-18-08-00341 (Beilstein Handbook Reference)RefChem:297159DTXCID201097017-methyl-4-oxo-4h-chromene-2-carbonitrileSCHEMBL9635627ZHMQPQWBQMSIJM-UHFFFAOYSA-N2-cyano-7-methyl-4-oxo-4H1-benzopyran

Show more names

2-cyano-7-methyl-4-oxo-4H-1-benzopyran

Database identifiers

CAS: 33543-97-4
PubChem CID: 214622
DTXSID: DTXSID10187210

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 336

Related reactions

3 records

New reaction record

HRID 147961As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1090774As productuspto-grants-1992_01

HRID 1110895As productuspto-grants-1990_12

Compound notes

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