Basic information
- CAS
74752-92-4- Standard SMILES
COC(=O)C1CC(C)C(C)C=CC1=O- InChIKey
SYUQKNRVDMSNMV-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
Names & identifiers
- Preferred name
- 3-Cycloheptene-1-carboxylic acid, 5,6-dimethyl-2-oxo-, methyl ester
- IUPAC
- methyl 5,6-dimethyl-2-oxocyclohept-3-ene-1-carboxylate
- English name
- 5,6-Dimethyl-2-oxo-3-cycloheptene-1-carboxylic acid methyl ester
- Molecular weight
- 0
Names & synonyms
SYUQKNRVDMSNMV-UHFFFAOYSA-N3-Cycloheptene-1-carboxylic acid, 5,6-dimethyl-2-oxo-, methyl esterMethyl 5,6-dimethyl-2-oxo-3-cycloheptene-1-carboxylate #5,6-Dimethyl-2-oxo-3-cycloheptene-1-carboxylic acid methyl ester
Database identifiers
- CAS
74752-92-4- Nikkaji
- J142.857H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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