Carbamic acid, acetyl-2-propenyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
Basic information
- CAS
40374-20-7- Standard SMILES
C=CCN(C(C)=O)C(=O)Oc1cccc2c1OC(C)(C)O2- InChIKey
IXEAIQUGHDOTLR-UHFFFAOYSA-N- Molecular formula
- C15H17NO5
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.11067264
Names & identifiers
- Preferred name
- Carbamic acid, acetyl-2-propenyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester
- IUPAC
- (2,2-dimethyl-1,3-benzodioxol-4-yl) N-acetyl-N-prop-2-enylcarbamate
Names & synonyms
40374-20-7Carbamic acid, acetyl-2-propenyl-, 2,2-dimethyl-1,3-benzodioxol-4-yl esterAcetyl-2-propenylcarbamic acid 2,2-dimethyl-1,3-benzodioxol-4-yl ester1,3-Benzodioxol-4-ol, 2,2-dimethyl-, acetylallylcarbamateDTXSID20193367RefChem:332294DTXCID301158582,2-Dimethyl-2H-1,3-benzodioxol-4-yl acetyl(prop-2-en-1-yl)carbamate
Database identifiers
- CAS
40374-20-7- PubChem CID
- 218205
- DTXSID
DTXSID20193367
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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