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1167056-21-4 | 1H-Indazole-4-carboxylic acid, 3-cyano-, methyl ester
CAS No: 1167056-21-4 Catalog No: AG000D27 MDL No:
Product Description
Catalog Number:
AG000D27
Chemical Name:
1H-Indazole-4-carboxylic acid, 3-cyano-, methyl ester
CAS Number:
1167056-21-4
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
methyl 3-cyano-1H-indazole-4-carboxylate
InChI:
InChI=1S/C10H7N3O2/c1-15-10(14)6-3-2-4-7-9(6)8(5-11)13-12-7/h2-4H,1H3,(H,12,13)
InChI Key:
NWIXOJOUHKNNTC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(C#N)n[nH]2
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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