Home Carboxys 1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid

1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid

CAS No.:
1490736-66-7
Catalog Number:
AG01BG71
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01BG71
Chemical Name:
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CAS Number:
1490736-66-7
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD28246239
IUPAC Name:
1-methyl-4,5,6,7-tetrahydroindazole-6-carboxylic acid
InChI:
InChI=1S/C9H12N2O2/c1-11-8-4-6(9(12)13)2-3-7(8)5-10-11/h5-6H,2-4H2,1H3,(H,12,13)
InChI Key:
QJYIDHFECIZGMM-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1CC(CC2)C(=O)O
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:
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties