Basic information
- CAS
32116-54-4- Standard SMILES
COC(=O)C1=C(C)CC(C(=O)O)C1- InChIKey
JLJQMRNFKMJLPS-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
Names & identifiers
- Preferred name
- 3-Methoxycarbonyl-4-methylcyclopent-3-ene-1-carboxylic acid
- IUPAC
- 3-methoxycarbonyl-4-methylcyclopent-3-ene-1-carboxylic acid
- English name
- 3-Cyclopentene-1,3-dicarboxylic acid, 4-methyl-, 3-methyl ester (8CI,9CI)
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
32116-54-43-Cyclopentene-1,3-dicarboxylic acid, 4-methyl-, 3-methyl ester3-Cyclopentene-1,3-dicarboxylic acid, 4-methyl-, 3-methyl ester (8CI,9CI)
Database identifiers
- CAS
32116-54-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 277
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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