Methyl 3-cyano-2,2-dimethylcyclopropane-1-carboxylate
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Basic information
- CAS
77406-70-3- Standard SMILES
COC(=O)C1C(C#N)C1(C)C- InChIKey
PPJGWWAFMKFKMB-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
Names & identifiers
- Preferred name
- Methyl 3-cyano-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- methyl 3-cyano-2,2-dimethylcyclopropane-1-carboxylate
- English name
- Cyclopropanecarboxylic acid, 3-cyano-2,2-dimethyl-, methyl ester (9CI)
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.17844
Names & synonyms
SCHEMBL11270207Cyclopropanecarboxylic acid, 3-cyano-2,2-dimethyl-, methyl ester (9CI)
Database identifiers
- CAS
77406-70-3
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
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Compound notes
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