3-Hydroxy-2-methyl-2-phenylpropanoic acid
Basic information
- CAS
4370-81-4- Standard SMILES
CC(CO)(C(=O)O)c1ccccc1- InChIKey
ISSYFABJJSOCQG-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 3-Hydroxy-2-methyl-2-phenylpropanoic acid
- IUPAC
- 3-hydroxy-2-methyl-2-phenylpropanoic acid
Names & synonyms
3-hydroxy-2-methyl-2-phenylpropanoic acid4370-81-42-Methyl-2-phenyl-3-hydroxypropanoic acid2-Methyl-2-phenylhydracrylic acidNSC41424Hydracrylic acid, 2-methyl-2-phenyl-alpha-methyltropic acidSCHEMBL6758034DTXSID201258212NSC 41424NSC-41424DB-228639
Show more names
I+/--(Hydroxymethyl)-I+/--methylbenzeneacetic acid
Database identifiers
- CAS
4370-81-4- PubChem CID
- 97795
- DTXSID
DTXSID201258212- Nikkaji
- J2.328.748J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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