Trans 3-Acetyl-2,2-dimethylcyclopropane-1-carboxylic acid
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Basic information
- Standard SMILES
CC(=O)[C@H]1[C@H](C(=O)O)C1(C)C- InChIKey
DBIPVNZNXKVLTL-NTSWFWBYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
Names & identifiers
- Preferred name
- Trans 3-Acetyl-2,2-dimethylcyclopropane-1-carboxylic acid
- IUPAC
- trans-(1S,3S)-3-acetyl-2,2-dimethylcyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL9862392DBIPVNZNXKVLTL-NTSWFWBYSA-NTrans 3-Acetyl-2,2-dimethylcyclopropane-1-carboxylic acid
Database identifiers
- PubChem CID
- 67945237
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
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Related reactions
1 records
Compound notes
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