3-[(1S,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2-methylprop-2-enoic acid
Basic information
- Standard SMILES
COC(=O)[C@H]1[C@H](C=C(C)C(=O)O)C1(C)C- InChIKey
NGKIQHBONVFNIB-JGVFFNPUSA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Names & identifiers
- Preferred name
- 3-[(1S,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2-methylprop-2-enoic acid
- IUPAC
- 3-[(1S,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropyl]-2-methylprop-2-enoic acid
Database identifiers
- PubChem CID
- 190171
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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