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16430-02-7 | Ethanone, 1-(4,5,6,7-tetrahydro-1H-indazol-1-yl)-
CAS No: 16430-02-7 Catalog No: AG001USA MDL No:
Product Description
Catalog Number:
AG001USA
Chemical Name:
Ethanone, 1-(4,5,6,7-tetrahydro-1H-indazol-1-yl)-
CAS Number:
16430-02-7
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
1-(4,5,6,7-tetrahydroindazol-1-yl)ethanone
InChI:
InChI=1S/C9H12N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10-11/h6H,2-5H2,1H3
InChI Key:
XXQCTXAPOWAOGZ-UHFFFAOYSA-N
SMILES:
CC(=O)n1ncc2c1CCCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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