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1000342-91-5 | 1H-Indazole-4-carbonitrile, 2,3-dihydro-3-oxo-
CAS No: 1000342-91-5 Catalog No: AG0000JZ MDL No:
Product Description
Catalog Number:
AG0000JZ
Chemical Name:
1H-Indazole-4-carbonitrile, 2,3-dihydro-3-oxo-
CAS Number:
1000342-91-5
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
3-oxo-1,2-dihydroindazole-4-carbonitrile
InChI:
InChI=1S/C8H5N3O/c9-4-5-2-1-3-6-7(5)8(12)11-10-6/h1-3H,(H2,10,11,12)
InChI Key:
YCYRYNCIYLRTBM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(=O)[nH][nH]2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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