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115506-09-7 | 1,4-Cyclohexanedimethanol, dimethanesulfonate, trans- (9CI)
CAS No: 115506-09-7 Catalog No: AG000G32 MDL No:
Product Description
Catalog Number:
AG000G32
Chemical Name:
1,4-Cyclohexanedimethanol, dimethanesulfonate, trans- (9CI)
CAS Number:
115506-09-7
Molecular Formula:
C10H20O6S2
Molecular Weight:
300.3922
IUPAC Name:
[4-(hydroxymethyl)cyclohexyl]methanol;methanesulfonic acid
InChI:
InChI=1S/C8H16O2.2CH4O3S/c9-5-7-1-2-8(6-10)4-3-7;2*1-5(2,3)4/h7-10H,1-6H2;2*1H3,(H,2,3,4)
InChI Key:
ISOGFKIURUGNJT-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OC[C@@H]1CC[C@H](CC1)COS(=O)(=O)C
EC Number:
601-369-6
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
336.414g/mol
Monoisotopic Mass:
336.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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