52834-59-0
1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLIC ACID
Name1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD20647605
【English Synonyms】
【Formula】
C9 H12 N2 O2
【MolWeight】
180.206
【Inchi】
InChI=1S/C9H12N2O2/c1-11-8-3-2-6(9(12)13)4-7(8)5-10-11/h5-6H,2-4H2,1H3,(H,12,13)
【InChIKey】
InChIKey=CBGZZBRUKAOSII-UHFFFAOYSA-N
【SMILES】
Cn1c2c(cn1)CC(CC2)C(=O)O
【MOL File】
1-METHYL-4,5,6,7-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLIC ACID.cml