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29281-09-2 | 1H-Indazole-3-carbonitrile, 5,6-dimethoxy-
CAS No: 29281-09-2 Catalog No: AG002XY3 MDL No:MFCD07371565
Product Description
Catalog Number:
AG002XY3
Chemical Name:
1H-Indazole-3-carbonitrile, 5,6-dimethoxy-
CAS Number:
29281-09-2
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD07371565
IUPAC Name:
5,6-dimethoxy-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C10H9N3O2/c1-14-9-3-6-7(4-10(9)15-2)12-13-8(6)5-11/h3-4H,1-2H3,(H,12,13)
InChI Key:
CQZODNCIALRSDY-UHFFFAOYSA-N
SMILES:
COc1cc2c(C#N)n[nH]c2cc1OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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