Basic information
- CAS
191998-91-1- Standard SMILES
C=CC1C(C(=O)OC)C1(C)C- InChIKey
PCQWCTSWAZPXQR-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
Names & identifiers
- Preferred name
- Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
- English name
- Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, methyl ester (9CI)
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate191998-91-1Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, methyl ester (9CI)SCHEMBL9975860Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, methyl ester
Database identifiers
- CAS
191998-91-1- Nikkaji
- J860.280H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 158.7 · 158.7±29.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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