Carbamic acid, acetylmethyl-, 1,3-benzodioxol-4-yl ester

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Basic information

CAS: 40373-39-5
Standard SMILES: CC(=O)N(C)C(=O)Oc1cccc2c1OCO2
InChIKey: UOABOWHUGUKRNP-UHFFFAOYSA-N
Molecular formula: C11H11NO5
Average molar mass: 237.21 g/mol
Monoisotopic mass: 237.06372245

Names & identifiers

Preferred name: Carbamic acid, acetylmethyl-, 1,3-benzodioxol-4-yl ester
IUPAC: 1,3-benzodioxol-4-yl N-acetyl-N-methylcarbamate

Names & synonyms

1,3-Benzodioxol-4-yl N-acetyl-N-methylcarbamate1,3-Benzodioxol-4-yl acetylmethylcarbamate40373-39-51,3-Benzodioxol-4-ol, acetylmethylcarbamateCarbamic acid, acetylmethyl-, 1,3-benzodioxol-4-yl esterAcetylmethylcarbamic acid 1,3-benzodioxol-4-yl esterDTXSID60193361RefChem:332296DTXCID701158522H-1,3-Benzodioxol-4-yl acetyl(methyl)carbamate

Database identifiers

CAS: 40373-39-5
PubChem CID: 218199
DTXSID: DTXSID60193361

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 65.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 319

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Compound notes

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