82789-18-2
1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
Name1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00136141
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H16 N2 O2
【pro_molWeight】
292.336
【Inchi】
InChI=1S/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)
【InChIKey】
InChIKey=ZJSUEWDIHUPPRO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(N2)C(=O)O
【MOL File】
1-PHENYL-2,3,4,9-TET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-PHENYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID.cml