Dibenz(b,f)oxepin-2-acetic acid, 10,11-dihydro-alpha-methyl-11-oxo-

HCID 3051627

Notes Reactions

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Basic information

CAS: 67578-42-1
Standard SMILES: CC(C(=O)O)c1ccc2c(c1)C(=O)Cc1ccccc1O2
InChIKey: HHMVMSNPBYGGOD-UHFFFAOYSA-N
Molecular formula: C17H14O4
Average molar mass: 282.29 g/mol
Monoisotopic mass: 282.08920892

Names & identifiers

Preferred name: Dibenz(b,f)oxepin-2-acetic acid, 10,11-dihydro-alpha-methyl-11-oxo-
IUPAC: 2-(5-oxo-6H-benzo[b][1]benzoxepin-3-yl)propanoic acid

Names & synonyms

10,11-Dihydro-alpha-methyl-11-oxodibenz(b,f)oxepin-2-acetic acid67578-42-1Dibenz(b,f)oxepin-2-acetic acid, 10,11-dihydro-alpha-methyl-11-oxo-RefChem:337030CHEMBL10799SCHEMBL11339446DTXSID60986937HHMVMSNPBYGGOD-UHFFFAOYSA-N2-(10,11-dihydro-11-oxo dibenzo[b,f]oxepin-2-yl)-propionic acid2-(11-Oxo-10,11-dihydrodibenzo[b,f]oxepin-2-yl)propanoic acid

Database identifiers

CAS: 67578-42-1
PubChem CID: 3051627
DTXSID: DTXSID60986937
ChEMBL: CHEMBL10799

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 419

Related reactions

2 records

New reaction record

HRID 303466As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1395752As productuspto-grants-1980_05

Compound notes

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