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29416-00-0 | Cyclononanone, 4,4,7,7-tetramethyl-
CAS No: 29416-00-0 Catalog No: AG002YAC MDL No:
Product Description
Catalog Number:
AG002YAC
Chemical Name:
Cyclononanone, 4,4,7,7-tetramethyl-
CAS Number:
29416-00-0
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4,4,7,7-tetramethylcyclononan-1-one
InChI:
InChI=1S/C13H24O/c1-12(2)7-5-11(14)6-8-13(3,4)10-9-12/h5-10H2,1-4H3
InChI Key:
RPXHAPILQYPJFK-UHFFFAOYSA-N
SMILES:
O=C1CCC(C)(C)CCC(CC1)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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