Basic information
- CAS
30461-78-0- Standard SMILES
COC(=O)/C=C\c1ccc(OC)c(OC)c1- InChIKey
JXRYDOZRPYFBKO-ALCCZGGFSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Methyl cis-3,4-dimethoxycinnamate
- IUPAC
- methyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Names & synonyms
METHYL CIS-3,4-DIMETHOXYCINNAMATE30461-78-02-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, cisCHEMBL2287146METHYL (2Z)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENOATEJXRYDOZRPYFBKO-ALCCZGGFSA-NDTXSID001238957Methyl (2Z)-3-(3,4-dimethoxyphenyl)-2-propenoate
Database identifiers
- CAS
30461-78-0- PubChem CID
- 6431040
- DTXSID
DTXSID001238957- ChEMBL
CHEMBL2287146- Nikkaji
- J2.539.153E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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