Dibenz(b,e)oxepin-2-acetic acid, 6,11-dihydro-alpha-methyl-11-oxo-

HCID 41868

Notes Reactions

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Basic information

CAS: 56427-43-1
Standard SMILES: CC(C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1CO2
InChIKey: BUQVRUQZFSMMIL-UHFFFAOYSA-N
Molecular formula: C17H14O4
Average molar mass: 282.29 g/mol
Monoisotopic mass: 282.08920892

Names & identifiers

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

Names & synonyms

BRN 39834952-(6,11-Dihydro-11-oxodibenz(b,e)oxepin-2-yl)propionic acid56427-43-1DIBENZ(b,e)OXEPIN-2-ACETIC ACID, 6,11-DIHYDRO-alpha-METHYL-11-OXO-RefChem:336996SCHEMBL9222163CHEMBL3251983DTXSID30971855BUQVRUQZFSMMIL-UHFFFAOYSA-N2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)propanoic acid6,11-dihydro-alpha-methyl-11-oxodibenz[b,e]oxepin-2-acetic acid

Database identifiers

CAS: 56427-43-1
PubChem CID: 41868
DTXSID: DTXSID30971855
ChEMBL: CHEMBL3251983
Nikkaji: J72.895K

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

1 records

New reaction record

HRID 482954As reactantuspto-grants-1986_03

Compound notes

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