Basic information
- CAS
62185-64-2- Standard SMILES
COC(=O)C1CC(C)=C(C)C1- InChIKey
ZOJQTZALBRWZGM-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 3-Cyclopentene-1-carboxylic acid, 3,4-dimethyl-, methyl ester
- IUPAC
- methyl 3,4-dimethylcyclopent-3-ene-1-carboxylate
- English name
- 3-Cyclopentene-1-carboxylic acid, 3,4-dimethyl-, methyl ester (9CI)
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
ZOJQTZALBRWZGM-UHFFFAOYSA-N3-Cyclopentene-1-carboxylic acid, 3,4-dimethyl-, methyl esterMethyl 3,4-dimethyl-3-cyclopentene-1-carboxylate #3,4-Dimethyl-3-cyclopentene-1-carboxylic acid methyl ester3-Cyclopentene-1-carboxylic acid, 3,4-dimethyl-, methyl ester (9CI)
Database identifiers
- CAS
62185-64-2- PubChem CID
- 565538
- Nikkaji
- J123.940F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 186.8 · 186.8±9.0 °C(Predicted)
- Density
- 0.991 · 0.991±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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