Basic information
- CAS
14731-78-3- Standard SMILES
CCOC(=O)C=Cc1ccc2c(c1)OCO2- InChIKey
PTMOFMXIIKUMTA-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
- IUPAC
- ethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate
- English name
- 2-Propenoic acid,3-(1,3-benzodioxol-5-yl)-, ethyl ester
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
(E)-Ethyl 3-(benzo[d][1,3]dioxol-5-yl)acrylateethyl (2E)-3-(1,3-dioxaindan-5-yl)prop-2-enoateethyl 3-(1,3-benzodioxol-5-yl)prop-2-enoate(E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid ethyl esterSCHEMBL3565700SCHEMBL34468091DTXSID201030725ZAA39366AKOS017265393Ethyl 3-(1,3-benzodioxol-5-yl)-2-propenoateethyl 3-(benzo[d][1,3]dioxol-5-yl)acrylateethyl 3-(benzo[d][1,3]dioxol-5-yl)acrylate(WXG00440)
Database identifiers
- CAS
14731-78-3- PubChem CID
- 90486
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
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…