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1000343-86-1 | 3H-Indazol-3-one, 1,2-dihydro-6-hydroxy-
CAS No: 1000343-86-1 Catalog No: AG0000M8 MDL No:
Product Description
Catalog Number:
AG0000M8
Chemical Name:
3H-Indazol-3-one, 1,2-dihydro-6-hydroxy-
CAS Number:
1000343-86-1
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
IUPAC Name:
6-hydroxy-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H6N2O2/c10-4-1-2-5-6(3-4)8-9-7(5)11/h1-3,10H,(H2,8,9,11)
InChI Key:
UDSSAQIYPDEPMM-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)[nH][nH]c2=O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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