Basic information
- CAS
76752-03-9- Standard SMILES
COc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3CCC(=O)O)cc1- InChIKey
ZMENOIMIAJUPFX-UHFFFAOYSA-N- Molecular formula
- C18H15NO6
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.0899372
Names & identifiers
- Preferred name
- 3-Benzoxazolinepropionic acid, 6-(p-methoxybenzoyl)-2-oxo-
- IUPAC
- 3-[6-(4-methoxybenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanoic acid
Names & synonyms
76752-03-9BRN 56298926-(p-Methoxybenzoyl)-2-oxo-3-benzoxazolinepropionic acid3-BENZOXAZOLINEPROPIONIC ACID, 6-(p-METHOXYBENZOYL)-2-OXO-RefChem:2769303-(6-(4-Methoxybenzoyl)-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acidDTXSID309980673-[6-(4-Methoxybenzoyl)-2-oxo-1,3-benzoxazol-3(2H)-yl]propanoic acid
Database identifiers
- CAS
76752-03-9- PubChem CID
- 53533
- DTXSID
DTXSID30998067- Nikkaji
- J67.928C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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