AG00C907

32286-99-0 | 1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

AG00C907

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CAS Number	32286-99-0
Catalog Number	AG00C907(AGN-PC-0WB3O5)
Chemical Name	1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
IUPAC Name	1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
InChI	InChI=1S/C9H12N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H2,1H3,(H,12,13)
InChI Key	GRVDRWFCDKSVJP-UHFFFAOYSA-N
MDL Number	MFCD09901219
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	CN1N=C(C=2CCCCC12)C(=O)O
Synonyms	1-METHYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLIC ACID, 32286-99-0, SCHEMBL19659007, DTXSID30640599, KS-00000S8L, MFCD09901219, STL215243, ZINC11802124, AKOS005263880, DS-5226, MCULE-1278482779, AJ-60150, AK118029, ST094863, CS-0042588, Y-5957, 1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid, 1-methyl-1H-4,5,6,7-tetrahydroindazole-3-carboxylic acid, 1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid(SALTDATA, 1-Methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, AldrichCPR, 1-(1-methyl-1H-indol-3-yl)ethanamine,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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