245039-31-0
5-(4-HYDROXYPHENYL)-5-METHYL-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE
Name5-(4-HYDROXYPHENYL)-5-METHYL-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE
1Identification
【Name】
5-(4-HYDROXYPHENYL)-5-METHYL-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE
【CAS】
【MDL】
MFCD00140481
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H15 N3 O2
【pro_molWeight】
269.302
【Inchi】
InChI=1S/C15H15N3O2/c1-15(11-7-9-13(19)10-8-11)16-14(20)18(17-15)12-5-3-2-4-6-12/h2-10,17,19H,1H3,(H,16,20)
【InChIKey】
InChIKey=SQVHGSURAIUIHW-UHFFFAOYSA-N
【SMILES】
CC1(NC(=O)N(N1)c2ccccc2)c3ccc(cc3)O
【MOL File】
5-(4-HYDROXYPHENYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(4-HYDROXYPHENYL)-5-METHYL-2-PHENYL-1,2,4-TRIAZOLAN-3-ONE.cml