5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-
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Basic information
- CAS
54785-40-9- Standard SMILES
CC(C(=O)O)c1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1- InChIKey
TXNPKAZVKAHXGK-UHFFFAOYSA-N- Molecular formula
- C20H21NO3
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.15214353
Names & identifiers
- Preferred name
- 5-Benzoxazoleacetic acid, 2-(4-tert-butylphenyl)-alpha-methyl-
- IUPAC
- 2-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanoic acid
- English name
- 2-(4-tert-Butylphenyl)-α-methyl-5-benzoxazoleacetic acid
- Molecular formula
- C20H21NO3
- Molecular weight
- 323.39
Names & synonyms
BRN 10201892-(4-tert-Butylphenyl)-alpha-methyl-5-benzoxazoleacetic acid54785-40-95-BENZOXAZOLEACETIC ACID, 2-(4-tert-BUTYLPHENYL)-alpha-METHYL-RefChem:3012692-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]propanoic acidDTXSID00970118DB-3126852-(4-tert-Butylphenyl)-α-methyl-5-benzoxazoleacetic acid5-Benzoxazoleacetic acid, 2-[4-(1,1-dimethylethyl)phenyl]-α-methyl-
Database identifiers
- CAS
54785-40-9- PubChem CID
- 41180
- DTXSID
DTXSID00970118- Nikkaji
- J67.855D
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
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Compound notes
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