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7255-28-9 | Hexaketocyclohexane Octahydrate
CAS No: 7255-28-9 Catalog No: AG003AM9 MDL No:
Product Description
Catalog Number:
AG003AM9
Chemical Name:
Hexaketocyclohexane Octahydrate
CAS Number:
7255-28-9
Molecular Formula:
C6H16O14
Molecular Weight:
312.1828
IUPAC Name:
cyclohexane-1,2,3,4,5,6-hexone;octahydrate
InChI:
InChI=1S/C6O6.8H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h;8*1H2
InChI Key:
MQIMWEBORAIJPP-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C(=O)C(=O)C(=O)C1=O.O.O.O.O.O.O.O.O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
9
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
312.18g/mol
Monoisotopic Mass:
312.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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