Cyclopropanecarboxylicacid, 3-(cyanomethyl)-2,2-dimethyl-
Basic information
- CAS
388623-23-2- Standard SMILES
CC1(C)C(CC#N)C1C(=O)O- InChIKey
GJFKJJHIMUUNAV-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- Cyclopropanecarboxylicacid, 3-(cyanomethyl)-2,2-dimethyl-
- IUPAC
- 3-(cyanomethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
- English name
- Cyclopropanecarboxylic acid, 3-(cyanomethyl)-2,2-dimethyl- (9CI)
- Molecular formula
- C8H11NO2
- Molecular weight
- 153.17844
Names & synonyms
388623-23-2Cyclopropanecarboxylicacid, 3-(cyanomethyl)-2,2-dimethyl-3-(cyanomethyl)-2,2-dimethylcyclopropane-1-carboxylic acidDTXSID00396112DB-2795411H-PYRAZOLE-4,5-DIONE, 3-METHYL-,4-(O-ETHYLOXIME)Cyclopropanecarboxylic acid, 3-(cyanomethyl)-2,2-dimethyl- (9CI)
Database identifiers
- CAS
388623-23-2- PubChem CID
- 3765616
- DTXSID
DTXSID00396112
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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