Home Carboxys 3-Methyl-4,5,6,7-tetrahydro-1H-indazol-5-carboxylic acid

3-Methyl-4,5,6,7-tetrahydro-1H-indazol-5-carboxylic acid

CAS No.:
1338247-49-6
Catalog Number:
AG009COL
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG009COL
Chemical Name:
3-Methyl-4,5,6,7-tetrahydro-1H-indazol-5-carboxylic acid
CAS Number:
1338247-49-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD29059198
IUPAC Name:
3-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-5-7-4-6(9(12)13)2-3-8(7)11-10-5/h6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChI Key:
GAEXPQISYGPHGQ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCc2c(C1)c(C)[nH]n2
Properties
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:
2  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties