1H-2-benzopyran-4-carboxaldehyde, 3-methyl-1-oxo-

HCID 604643

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Basic information

CAS: 186028-42-2
Standard SMILES: Cc1oc(=O)c2ccccc2c1C=O
InChIKey: GXMYIEWILFSDKH-UHFFFAOYSA-N
Molecular formula: C11H8O3
Average molar mass: 188.18 g/mol
Monoisotopic mass: 188.04734411

Names & identifiers

Preferred name: 1H-2-benzopyran-4-carboxaldehyde, 3-methyl-1-oxo-
IUPAC: 3-methyl-1-oxoisochromene-4-carbaldehyde

Names & synonyms

1H-2-benzopyran-4-carboxaldehyde, 3-methyl-1-oxo-3-Methyl-4-isocoumarincarbaldehyde186028-42-23-Methyl-1-oxo-1H-isochromene-4-carbaldehydeDTXSID20345465GXMYIEWILFSDKH-UHFFFAOYSA-N3-Methyl-1-oxo-1H-2-benzopyran-4-carbaldehyde3-Methyl-1-oxo-1H-isochromene-4-carbaldehyde #InChI=1/C11H8O3/c1-7-10(6-12)8-4-2-3-5-9(8)11(13)14-7/h2-6H,1H

Database identifiers

CAS: 186028-42-2
PubChem CID: 604643
DTXSID: DTXSID20345465
Nikkaji: J832.530H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 304

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