Basic information
- CAS
76752-15-3- Standard SMILES
CC(C(=O)O)n1c(=O)oc2cc(C(=O)c3cccs3)ccc21- InChIKey
PWTWJIYMNWTEKI-UHFFFAOYSA-N- Molecular formula
- C15H11NO5S
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.03579362
Names & identifiers
- Preferred name
- 3-Benzoxazolineacetic acid, alpha-methyl-2-oxo-6-(2-thenoyl)-
- IUPAC
- 2-[2-oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3-yl]propanoic acid
Names & synonyms
BRN 5607884alpha-Methyl-2-oxo-6-(2-thenoyl)-3-benzoxazolineacetic acid76752-15-33-BENZOXAZOLINEACETIC ACID, alpha-METHYL-2-OXO-6-(2-THENOYL)-RefChem:276925DTXSID809980722-[2-Oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
Database identifiers
- CAS
76752-15-3- PubChem CID
- 53540
- DTXSID
DTXSID80998072- Nikkaji
- J67.922D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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