1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate
Basic information
- CAS
40373-31-7- Standard SMILES
CCC1(CC)Oc2cccc(OC(=O)NC)c2O1- InChIKey
KVNDSAYQVIIYLJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-4-ol, 2,2-diethyl-, methylcarbamate
- IUPAC
- (2,2-diethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Names & synonyms
BRN 13189691,3-BENZODIOXOL-4-OL, 2,2-DIETHYL-, METHYLCARBAMATE2,2-Diethyl-1,3-benzodioxol-4-ol methylcarbamate40373-31-7DTXSID00193360RefChem:217829DTXCID101158512,2-Diethyl-2H-1,3-benzodioxol-4-yl methylcarbamate
Database identifiers
- CAS
40373-31-7- PubChem CID
- 38449
- DTXSID
DTXSID00193360
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
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Compound notes
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