Ethyl 1,3-benzodioxole-5-propionate
Basic information
- CAS
7116-48-5- Standard SMILES
CCOC(=O)CCc1ccc2c(c1)OCO2- InChIKey
SHFDGDJEJOHKSV-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Ethyl 1,3-benzodioxole-5-propionate
- IUPAC
- ethyl 3-(1,3-benzodioxol-5-yl)propanoate
- English name
- 3-Benzo[1,3]dioxol-5-yl-propionic acid ethyl ester
- Molecular formula
- C12H14O4
- Molecular weight
- 222.23716
Names & synonyms
7116-48-5Ethyl 1,3-benzodioxole-5-propionateEthyl 3-(1,3-benzodioxol-5-yl)propanoate1,3-Benzodioxole-5-propanoic acid, ethyl esterR5N78BMB7DNSC-159431Ethyl 3-(benzo[d][1,3]dioxol-5-yl)propanoateEthyl homopiperonylacetateEINECS 230-418-0Ethyl piperonylacetateAI3-30061ethyl 3-(3,4-methylenedioxyphenyl)propionate
Show more names
1,3-Benzodioxole-5-propionic acid ethyl ester1,3-Benzodioxole-5-propanoic acid ethyl ester3-(1,3-Benzodioxol-5-yl)propionic acid ethyl ester3-Benzo[1,3]dioxol-5-yl-propionic acid ethyl esterethyl 3-(benzo[d][1,3]dioxol-5-yl)propanoate(WXG00441)
UNII-R5N78BMB7DETHYL 3-(2H-1,3-BENZODIOXOL-5-YL)PROPANOATESCHEMBL3186208SCHEMBL15238955DTXSID80221352NSC159431NSC 159431NS00037159
Database identifiers
- CAS
7116-48-5- PubChem CID
- 81545
- DTXSID
DTXSID80221352- UNII
- R5N78BMB7D
- EC Number
- 230-418-0
- Nikkaji
- J43.122B
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 241
Physicochemical properties
- FDA UNII
- 5 N78BMB7D · R5N78BMB7D
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
Loading…