prop-2-ynyl N-(3-methylphenyl)carbamate

HCID 349151

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Basic information

CAS: 32496-22-3
Standard SMILES: C#CCOC(=O)Nc1cccc(C)c1
InChIKey: RFPIAKIFWFMDOQ-UHFFFAOYSA-N
Molecular formula: C11H11NO2
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.07897859

Names & identifiers

Preferred name: prop-2-ynyl N-(3-methylphenyl)carbamate
IUPAC: prop-2-ynyl N-(3-methylphenyl)carbamate

Names & synonyms

32496-22-3prop-2-ynyl N-(3-methylphenyl)carbamateNSC408725SCHEMBL10192046DTXSID60325125AKOS002217464NSC-408725Prop-2-yn-1-yl (3-methylphenyl)carbamateDS-007455N-(3-methylphenyl)prop-2-ynyloxycarboxamideST50143503CARBAMIC ACID,N-(3-METHYLPHENYL)-, 2-PROPYN-1-YL ESTER

Database identifiers

CAS: 32496-22-3
PubChem CID: 349151
DTXSID: DTXSID60325125

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 241

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