939757-28-5
[2-(4-CYANO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
Name[2-(4-CYANO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
1Identification
【Name】
[2-(4-CYANO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD08544100
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H18 N2 O3
【pro_molWeight】
262.307
【Inchi】
InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-9-12(17)11-6-4-10(8-15)5-7-11/h4-7,12,17H,9H2,1-3H3,(H,16,18)
【InChIKey】
InChIKey=XWQQHNIPYHHABU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)NCC(c1ccc(cc1)C#N)O
【MOL File】
[2-(4-CYANO-PHENYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[2-(4-CYANO-PHENYL)-2-HYDROXY-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER.cml