6-Benzoxazoleacetic acid, alpha-methyl-2-phenyl-
Basic information
- CAS
51234-58-3- Standard SMILES
CC(C(=O)O)c1ccc2nc(-c3ccccc3)oc2c1- InChIKey
CPJAIYJPNFTBRV-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 6-Benzoxazoleacetic acid, alpha-methyl-2-phenyl-
- IUPAC
- 2-(2-phenyl-1,3-benzoxazol-6-yl)propanoic acid
- English name
- α-Methyl-2-phenyl-6-benzoxazoleacetic acid
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
51234-58-36-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-PHENYL-RefChem:1073820alpha-Methyl-2-phenyl-6-benzoxazoleacetic acidBRN 10020652-(2-phenyl-1,3-benzoxazol-6-yl)propanoic acidCHEMBL3246581DTXSID90965513α-Methyl-2-phenyl-6-benzoxazoleacetic acid6-Benzoxazoleacetic acid, α-methyl-2-phenyl-
Database identifiers
- CAS
51234-58-3- PubChem CID
- 39950
- DTXSID
DTXSID90965513- ChEMBL
CHEMBL3246581- Nikkaji
- J67.875I
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
No reaction records under the current filter.
Compound notes
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