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1196154-00-3 | 5H-Indazol-5-one, 1,4,6,7-tetrahydro-
CAS No: 1196154-00-3 Catalog No: AG000PCB MDL No:MFCD08447529
Product Description
Catalog Number:
AG000PCB
Chemical Name:
5H-Indazol-5-one, 1,4,6,7-tetrahydro-
CAS Number:
1196154-00-3
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD08447529
IUPAC Name:
1,4,6,7-tetrahydroindazol-5-one
InChI:
InChI=1S/C7H8N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h4H,1-3H2,(H,8,9)
InChI Key:
WWNLWVBNNBDHDF-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1)cn[nH]2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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