5-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-
Basic information
- CAS
64037-06-5- Standard SMILES
Cc1ccc(-c2nc3cc(C(C)C(=O)O)ccc3o2)cc1- InChIKey
GZHTYRWTDHLNPC-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 5-Benzoxazoleacetic acid, alpha-methyl-2-(p-tolyl)-
- IUPAC
- 2-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
- English name
- α-Methyl-2-(4-methylphenyl)-5-benzoxazoleacetic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.3059
Names & synonyms
BRN 1083953alpha-Methyl-2-(p-tolyl)-5-benzoxazoleacetic acid5-BENZOXAZOLEACETIC ACID, alpha-METHYL-2-(p-TOLYL)-64037-06-5RefChem:3012782-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]propanoic acidDTXSID10982005α-Methyl-2-(4-methylphenyl)-5-benzoxazoleacetic acid
Database identifiers
- CAS
64037-06-5- PubChem CID
- 46379
- DTXSID
DTXSID10982005- Nikkaji
- J67.879A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
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Compound notes
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