Basic information
- CAS
76752-05-1- Standard SMILES
O=C(O)CCn1c(=O)oc2cc(C(=O)c3cccs3)ccc21- InChIKey
HPWUUPGOAHOMGN-UHFFFAOYSA-N- Molecular formula
- C15H11NO5S
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.03579362
Names & identifiers
- Preferred name
- 3-Benzoxazolinepropionic acid, 2-oxo-6-(2-thenoyl)-
- IUPAC
- 3-[2-oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3-yl]propanoic acid
Names & synonyms
BRN 56183553-BENZOXAZOLINEPROPIONIC ACID, 2-OXO-6-(2-THENOYL)-2-Oxo-6-(2-thenoyl)-3-benzoxazolinepropionic acid76752-05-1DTXSID40227577RefChem:276927DTXCID901500683-[2-Oxo-6-(thiophene-2-carbonyl)-1,3-benzoxazol-3(2H)-yl]propanoic acid
Database identifiers
- CAS
76752-05-1- PubChem CID
- 53535
- DTXSID
DTXSID40227577- Nikkaji
- J67.929A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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