2-(2-Phenyl-1,3-benzoxazol-7-yl)propanoic acid
Basic information
- CAS
60723-71-9- Standard SMILES
CC(C(=O)O)c1cccc2nc(-c3ccccc3)oc12- InChIKey
NHWQKXLYPPATQO-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 2-(2-Phenyl-1,3-benzoxazol-7-yl)propanoic acid
- IUPAC
- 2-(2-phenyl-1,3-benzoxazol-7-yl)propanoic acid
- English name
- α-Methyl-2-phenyl-7-benzoxazoleacetic acid
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
2-(2-phenyl-1,3-benzoxazol-7-yl)propanoic acid60723-71-9DTXSID90976164RefChem:1060936DTXCID801403544alpha-Methyl-2-phenyl-7-benzoxazoleacetic acidBRN 1129642NSC2933777-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-PHENYL-CHEMBL3275257NSC-293377DB-309518
Show more names
α-Methyl-2-phenyl-7-benzoxazoleacetic acid7-Benzoxazoleacetic acid, α-methyl-2-phenyl-
Database identifiers
- CAS
60723-71-9- PubChem CID
- 43422
- DTXSID
DTXSID90976164- ChEMBL
CHEMBL3275257- Nikkaji
- J67.876G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
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Compound notes
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