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(1S,2S)-1,2-Cyclohexanedimethanol

CAT: 0572-TRC-C987000-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987000-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3205-34-3
Synonyms
(+)-trans-1,2-Cyclohexanedimethanol; (1S-trans)-1,2-Cyclohexanedimethanol; (1S,2S)-1,2-Bis(hydroxymethyl)cyclohexane; (1S,2S)-Cyclohexane-1,2-dimethanol; (S,S)-1,2-Bis(hydroxymethyl)cyclohexane; trans-(+)-1,2-Bis(hydroxymethyl)cyclohexane
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
OC[C@@H](CCCC1)[C@H]1CO
Molecular Formula
C8H16O2
Molecular Weight
144.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2-Cyclohexanedimethanol, (1S,2S)-
CAS Number3205-34-3
PubChem CID10678373
IUPAC Name[(1S,2S)-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-/m1/s1
InChIKey
XDODWINGEHBYRT-HTQZYQBOSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Cyclohexanedimethanol, (1S,2S)-
CAS: 3205-34-3
CID: 10678373
Formula: C8H16O2
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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