Jpb 52
Basic information
- CAS
76752-01-7- Standard SMILES
O=C(O)CCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21- InChIKey
HHGQHMARMJYJMK-UHFFFAOYSA-N- Molecular formula
- C17H13NO5
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.07937252
Names & identifiers
- Preferred name
- Jpb 52
- IUPAC
- 3-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
- English name
- 3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid
- Molecular formula
- C17H13NO5
- Molecular weight
- 0
Names & synonyms
JPB 5276752-01-76-Benzoyl-2-oxo-3-benzoxazolinepropionic acidBRN 5612262DTXSID202275753-BENZOXAZOLINEPROPIONIC ACID, 6-BENZOYL-2-OXO-RefChem:350323DTXCID701500663-(6-benzoyl-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid3-(6-benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid
Database identifiers
- CAS
76752-01-7- PubChem CID
- 53531
- DTXSID
DTXSID20227575- Nikkaji
- J67.925I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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