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1000341-33-2 | 1H-Indazole-3-carboxylic acid, 4-cyano-
CAS No: 1000341-33-2 Catalog No: AG0000GU MDL No:MFCD09263233
Product Description
Catalog Number:
AG0000GU
Chemical Name:
1H-Indazole-3-carboxylic acid, 4-cyano-
CAS Number:
1000341-33-2
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
MDL Number:
MFCD09263233
IUPAC Name:
4-cyano-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C9H5N3O2/c10-4-5-2-1-3-6-7(5)8(9(13)14)12-11-6/h1-3H,(H,11,12)(H,13,14)
InChI Key:
XTNCDNOZENBPPA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(n[nH]2)C(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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