Basic information
- CAS
78804-68-9- Standard SMILES
C=C(C(=O)OC)C1C=CCCCC1- InChIKey
DRDDKLPBFUJHJK-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- Methyl 2-cyclohept-2-en-1-ylprop-2-enoate
- IUPAC
- methyl 2-cyclohept-2-en-1-ylprop-2-enoate
Names & synonyms
78804-68-9methyl 2-cyclohept-2-en-1-ylprop-2-enoateNSC324974DTXSID00318036NSC-3249742-(1-cyclohept-2-enyl)-acrylic acid methyl esterMETHYL 2-(CYCLOHEPT-2-EN-1-YL)PROP-2-ENOATE
Database identifiers
- CAS
78804-68-9- PubChem CID
- 331561
- DTXSID
DTXSID00318036
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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