86818-31-7
ALPHA-METHYL-3-(4-METHYLPHENYL)-2H-1,4-BENZOXAZINE-6-ACETIC ACID
NameALPHA-METHYL-3-(4-METHYLPHENYL)-2H-1,4-BENZOXAZINE-6-ACETIC ACID
1Identification
【Name】
ALPHA-METHYL-3-(4-METHYLPHENYL)-2H-1,4-BENZOXAZINE-6-ACETIC ACID
【CAS】
【MDL】
MFCD01744502
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H17 N O3
【pro_molWeight】
295.336
【Inchi】
InChI=1S/C18H17NO3/c1-11-3-5-13(6-4-11)16-10-22-17-8-7-14(9-15(17)19-16)12(2)18(20)21/h3-9,12H,10H2,1-2H3,(H,20,21)
【InChIKey】
InChIKey=NLXCEQCSTMSGEX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2=Nc3cc(ccc3OC2)C(C)C(=O)O
【MOL File】
ALPHA-METHYL-3-(4-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ALPHA-METHYL-3-(4-METHYLPHENYL)-2H-1,4-BENZOXAZINE-6-ACETIC ACID.cml