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1167055-85-7 | 1H-Indazole-3-carboxylic acid, 5-(aminocarbonyl)-
CAS No: 1167055-85-7 Catalog No: AG000D1Q MDL No:
Product Description
Catalog Number:
AG000D1Q
Chemical Name:
1H-Indazole-3-carboxylic acid, 5-(aminocarbonyl)-
CAS Number:
1167055-85-7
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
5-carbamoyl-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C9H7N3O3/c10-8(13)4-1-2-6-5(3-4)7(9(14)15)12-11-6/h1-3H,(H2,10,13)(H,11,12)(H,14,15)
InChI Key:
HEQSEKBQSVPQCE-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)c(n[nH]2)C(=O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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