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1,4-Cyclohexanediol (Cis/Trans Mixture)

CAT: 0572-TRC-C987060-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C987060-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
556-48-9
Synonyms
1,4-Dihydroxycyclohexane; NSC 5651; Quinitol
Hazard Statement
Harmful if swallowed
Smiles
OC1CCC(O)CC1
Molecular Formula
C6H12O2
Molecular Weight
116.16
Shipping Conditions
Room Temperature

Chemical Information

1,4-Cyclohexanediol

RN given refers to parent cpd

CAS Number556-48-9
PubChem CID11162
IUPAC Namecyclohexane-1,4-diol
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP0.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity54
SMILES
C1CC(CCC1O)O
InChI
InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKey
VKONPUDBRVKQLM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Cyclohexanediol
CAS: 556-48-9
CID: 11162
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area40.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
411283-011,4-Cyclohexanediol (Cis/Trans Mixture)
4112841,4-Cyclohexanediol-d8 (cis and trans mixture)
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OR10773631,4-Hexadiene (cis- and trans- mixture)
sc-4864731,4-Cyclohexanediamine (cis- and trans- mixture)
sc-2230521,4-Dimethylcyclohexane, mixture of cis and trans
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