3-Hydroxy-3-(4-nitrophenyl)butanoic acid
Basic information
- CAS
5350-45-8- Standard SMILES
CC(O)(CC(=O)O)c1ccc([N+](=O)[O-])cc1- InChIKey
KJKUAEMIKPSAOU-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 3-Hydroxy-3-(4-nitrophenyl)butanoic acid
- IUPAC
- 3-hydroxy-3-(4-nitrophenyl)butanoic acid
- English name
- 3-Hydroxy-3-methyl-3-(4-nitrophenyl)propanoic acid
- Molecular formula
- C10H11NO5
- Molecular weight
- 225.2
Names & synonyms
NSC285350-45-83-hydroxy-3-(4-nitrophenyl)butanoic acidDTXSID402769293-HYDROXY-3-METHYL-3-(4-NITROPHENYL)PROPANOIC ACIDBenzenepropanoic acid, β-hydroxy-β-methyl-4-nitro-
Database identifiers
- CAS
5350-45-8- PubChem CID
- 219129
- DTXSID
DTXSID40276929
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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