Basic information
- CAS
130895-13-5- Standard SMILES
COC(=O)CCC1=CC(=O)CCC1- InChIKey
XAISMWBBCREKIP-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoate
- IUPAC
- methyl 3-(3-oxocyclohexen-1-yl)propanoate
Names & synonyms
130895-13-5Methyl 3-(3-oxocyclohex-1-en-1-yl)propanoateDTXSID70563536
Database identifiers
- CAS
130895-13-5- PubChem CID
- 14744366
- DTXSID
DTXSID70563536- Nikkaji
- J1.317.816J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…