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1227266-84-3 | 1H-Indazole-6-carboxylic acid, 5-cyano-, methyl ester
CAS No: 1227266-84-3 Catalog No: AG000J2F MDL No:
Product Description
Catalog Number:
AG000J2F
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-cyano-, methyl ester
CAS Number:
1227266-84-3
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
IUPAC Name:
methyl 5-cyano-1H-indazole-6-carboxylate
InChI:
InChI=1S/C10H7N3O2/c1-15-10(14)8-3-9-7(5-12-13-9)2-6(8)4-11/h2-3,5H,1H3,(H,12,13)
InChI Key:
OFPGVVUZTQAXQC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]ncc2cc1C#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:
1.1
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