Basic information
- CAS
57134-55-1- Standard SMILES
CCOC(=O)/C=C\c1ccc2c(c1)OCO2- InChIKey
PTMOFMXIIKUMTA-XQRVVYSFSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Ethyl (Z)-3-(1,3-benzodioxol-5-yl)acrylate
- IUPAC
- ethyl (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
- English name
- ethyl (Z)-3-(1,3-benzodioxol-5-yl)acrylate
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
57134-55-1Ethyl (Z)-3-(1,3-benzodioxol-5-yl)acrylateEINECS 260-585-5PTMOFMXIIKUMTA-XQRVVYSFSA-NDTXSID501238421ETHYL (2Z)-3-(2H-1,3-BENZODIOXOL-5-YL)PROP-2-ENOATEAKOS015950757DB-326336NS00087062Ethyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-propenoate(Z)-3-(1,3-Benzodioxol-5-yl)propenoic acid ethyl ester2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, ethyl ester, (2Z)-
Database identifiers
- CAS
57134-55-1- PubChem CID
- 6436655
- DTXSID
DTXSID501238421- EC Number
- 260-585-5
- Nikkaji
- J349.096C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 337.2 · 337.2±11.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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