3-Benzoxazolineacetic acid, 6-(p-methoxybenzoyl)-alpha-methyl-2-oxo-
Basic information
- CAS
76752-13-1- Standard SMILES
COc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3C(C)C(=O)O)cc1- InChIKey
JNZFADUDCJITDA-UHFFFAOYSA-N- Molecular formula
- C18H15NO6
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.0899372
Names & identifiers
- Preferred name
- 3-Benzoxazolineacetic acid, 6-(p-methoxybenzoyl)-alpha-methyl-2-oxo-
- IUPAC
- 2-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
Names & synonyms
BRN 56213516-(p-Methoxybenzoyl)-alpha-methyl-2-oxo-3-benzoxazolineacetic acid76752-13-13-BENZOXAZOLINEACETIC ACID, 6-(p-METHOXYBENZOYL)-alpha-METHYL-2-OXO-RefChem:276924DTXSID609980702-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]propanoic acid
Database identifiers
- CAS
76752-13-1- PubChem CID
- 53538
- DTXSID
DTXSID60998070- Nikkaji
- J67.921F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
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Compound notes
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