Basic information
- CAS
57314-31-5- Standard SMILES
COC(=O)C=CC(OC)OC- InChIKey
CWHHPNNHJKOQQV-UHFFFAOYSA-N- Molecular formula
- C7H12O4
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.07355886
Names & identifiers
- Preferred name
- 2-Butenoic acid, 4,4-dimethoxy-, methyl ester, (Z)-
- IUPAC
- methyl 4,4-dimethoxybut-2-enoate
Names & synonyms
2-Butenoic acid, 4,4-dimethoxy-, methyl ester, (Z)-57314-31-5SCHEMBL5911670DTXSID10342463CWHHPNNHJKOQQV-UHFFFAOYSA-Nmethyl 4,4-dimethoxy-2-butenoate
Database identifiers
- CAS
57314-31-5- PubChem CID
- 582207
- DTXSID
DTXSID10342463
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
Related reactions
4 records
Compound notes
Loading…