121626-22-0
(6,6-DIMETHYL-4-OXO-2-PHENYL-4,5,6,7-TETRAHYDRO-INDOL-1-YL)-ACETIC ACID
Name(6,6-DIMETHYL-4-OXO-2-PHENYL-4,5,6,7-TETRAHYDRO-INDOL-1-YL)-ACETIC ACID
1Identification
【Name】
(6,6-DIMETHYL-4-OXO-2-PHENYL-4,5,6,7-TETRAHYDRO-INDOL-1-YL)-ACETIC ACID
【CAS】
【MDL】
MFCD01305388
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H19 N O3
【pro_molWeight】
297.352
【Inchi】
InChI=1S/C18H19NO3/c1-18(2)9-15-13(16(20)10-18)8-14(19(15)11-17(21)22)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3,(H,21,22)
【InChIKey】
InChIKey=QWXIZSGZCNDDJK-UHFFFAOYSA-N
【SMILES】
CC1(Cc2c(cc(n2CC(=O)O)c3ccccc3)C(=O)C1)C
【MOL File】
(6,6-DIMETHYL-4-OXO-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(6,6-DIMETHYL-4-OXO-2-PHENYL-4,5,6,7-TETRAHYDRO-INDOL-1-YL)-ACETIC ACID.cml