2-(Hydroxymethyl)-2-phenylbutanoic acid
Basic information
- CAS
4355-36-6- Standard SMILES
CCC(CO)(C(=O)O)c1ccccc1- InChIKey
GJXTXPRZKRDQLG-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-2-phenylbutanoic acid
- IUPAC
- 2-(hydroxymethyl)-2-phenylbutanoic acid
Names & synonyms
2-(hydroxymethyl)-2-phenylbutanoic acid4355-36-6DTXSID50285340RefChem:254143DTXCID30236491NSC41425SCHEMBL6761465NSC-41425
Database identifiers
- CAS
4355-36-6- PubChem CID
- 237704
- DTXSID
DTXSID50285340
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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