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89209-30-3 | 3H-Indazol-3-one, 2,3a,4,5,6,7-hexahydro-2,3a-dimethyl-
CAS No: 89209-30-3 Catalog No: AG0045H4 MDL No:
Product Description
Catalog Number:
AG0045H4
Chemical Name:
3H-Indazol-3-one, 2,3a,4,5,6,7-hexahydro-2,3a-dimethyl-
CAS Number:
89209-30-3
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
2,3a-dimethyl-4,5,6,7-tetrahydroindazol-3-one
InChI:
InChI=1S/C9H14N2O/c1-9-6-4-3-5-7(9)10-11(2)8(9)12/h3-6H2,1-2H3
InChI Key:
YHBZXJZTTKPBKA-UHFFFAOYSA-N
SMILES:
CN1N=C2C(C1=O)(C)CCCC2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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