Home Carboxys 5-methyl-1H-indazole-4-carboxylic acid

5-methyl-1H-indazole-4-carboxylic acid

CAS No.:
1360927-57-6
Catalog Number:
AG01BTHS
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG01BTHS
Chemical Name:
5-methyl-1H-indazole-4-carboxylic acid
CAS Number:
1360927-57-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD22556693
IUPAC Name:
5-methyl-1H-indazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
BSZNJJXTCSVIAT-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)ccc2c1cn[nH]2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties