Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester
Basic information
- CAS
40374-16-1- Standard SMILES
CCCC(=O)N(C)C(=O)Oc1cccc2c1OCO2- InChIKey
MVGLHIJICQLVSH-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- Carbamic acid, methyl(1-oxobutyl)-, 1,3-benzodioxol-4-yl ester
- IUPAC
- 1,3-benzodioxol-4-yl N-butanoyl-N-methylcarbamate
Names & synonyms
40374-16-1CARBAMIC ACID, METHYL(1-OXOBUTYL)-, 1,3-BENZODIOXOL-4-YL ESTERMethyl(1-oxobutyl)carbamic acid 1,3-benzodioxol-4-yl esterDTXSID00193365RefChem:332509DTXCID101158562H-1,3-Benzodioxol-4-yl butanoyl(methyl)carbamate
Database identifiers
- CAS
40374-16-1- PubChem CID
- 38452
- DTXSID
DTXSID00193365
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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