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1190319-99-3 | 1H-Indazole-5-carboxylic acid, 3-cyano-, methyl ester
CAS No: 1190319-99-3 Catalog No: AG000HW0 MDL No:
Product Description
Catalog Number:
AG000HW0
Chemical Name:
1H-Indazole-5-carboxylic acid, 3-cyano-, methyl ester
CAS Number:
1190319-99-3
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
methyl 3-cyano-1H-indazole-5-carboxylate
InChI:
InChI=1S/C10H7N3O2/c1-15-10(14)6-2-3-8-7(4-6)9(5-11)13-12-8/h2-4H,1H3,(H,12,13)
InChI Key:
POZSZUBOUIBITK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(n[nH]c2cc1)C#N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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