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(1R,2R) -1,2-Cyclohexanedimethanol

CAT: 0926-FC20697Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FC20697Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65376-05-8
Synonyms
(1R-trans) -1,2-Cyclohexanedimethanol; (1R,2R) -1,2-Bis (hydroxymethyl) cyclohexane
Smiles
C1CC[C@H] ([C@@H] (C1) CO) CO
Molecular Formula
C8H16O2
Molecular Weight
144.21 g/mol
Controlled
No

Chemical Information

rel-(1R,2R)-1,2-Cyclohexanedimethanol
CAS Number65376-05-8
PubChem CID11217323
IUPAC Name[(1R,2R)-2-(hydroxymethyl)cyclohexyl]methanol
Molecular FormulaC8H16O2
Molecular Weight144.21
XLogP0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity81
SMILES
C1CC[C@H]([C@@H](C1)CO)CO
InChI
InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKey
XDODWINGEHBYRT-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of rel-(1R,2R)-1,2-Cyclohexanedimethanol
CAS: 65376-05-8
CID: 11217323
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass144.115029749
Monoisotopic Mass144.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity81.3
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes