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1006-03-7 | CYCLOHEXANONE-2,2,6,6-D4
CAS No: 1006-03-7 Catalog No: AG0002FK MDL No:
Product Description
Catalog Number:
AG0002FK
Chemical Name:
CYCLOHEXANONE-2,2,6,6-D4
CAS Number:
1006-03-7
Molecular Formula:
C6H6D4O
Molecular Weight:
102.1676
IUPAC Name:
2,2,6,6-tetradeuteriocyclohexan-1-one
InChI:
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2/i4D2,5D2
InChI Key:
JHIVVAPYMSGYDF-CQOLUAMGSA-N
SMILES:
O=C1C([2H])([2H])CCCC1([2H])[2H]
Properties
Complexity:
68.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.098g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4
Molecular Weight:
102.169g/mol
Monoisotopic Mass:
102.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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