913557-80-9
4,5,6,7-TETRAHYDRO-5-PHENYL-1H-INDAZOLE-3-CARBOXYLIC ACID
Name4,5,6,7-TETRAHYDRO-5-PHENYL-1H-INDAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
4,5,6,7-TETRAHYDRO-5-PHENYL-1H-INDAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD17215192
【English Synonyms】
【Formula】
C14 H14 N2 O2
【MolWeight】
242.277
【Inchi】
InChI=1S/C14H14N2O2/c17-14(18)13-11-8-10(6-7-12(11)15-16-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)(H,17,18)
【InChIKey】
InChIKey=GAHUQXZIZDLOIG-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2CCc3c(c(n[nH]3)C(=O)O)C2
【MOL File】
4,5,6,7-TETRAHYDRO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5,6,7-TETRAHYDRO-5-PHENYL-1H-INDAZOLE-3-CARBOXYLIC ACID.cml