Dibenz(b,f)oxepin-2-acetic acid, 10,11-dihydro-8-methyl-11-oxo-
Basic information
- CAS
72619-36-4- Standard SMILES
Cc1ccc2c(c1)CC(=O)c1cc(CC(=O)O)ccc1O2- InChIKey
JFLSORSNGUVQPA-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-8-methyl-11-oxo-
- IUPAC
- 2-(8-methyl-5-oxo-6H-benzo[b][1]benzoxepin-3-yl)acetic acid
Names & synonyms
Dibenz(b,f)oxepin-2-acetic acid, 10,11-dihydro-8-methyl-11-oxo-10,11-Dihydro-8-methyl-11-oxodibenz(b,f)oxepin-2-acetic acid72619-36-48-Methyl-10,11-dihydro-11-oxodibenz(b,f)oxepin-2-acetic acidDTXSID40222946RefChem:337028DTXCID70145437CHEMBL10833SCHEMBL11335116(8-Methyl-11-oxo-10,11-dihydrodibenzo[b,f]oxepin-2-yl)acetic acid
Database identifiers
- CAS
72619-36-4- PubChem CID
- 3055596
- DTXSID
DTXSID40222946- ChEMBL
CHEMBL10833
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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