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3-methoxycyclohexan-1-ol

CAT: 0926-PDA79453Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-PDA79453Size:2.5 g
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CAS Number
89794-53-6
MDL Number
MFCD07780448
Smiles
COC1CCCC (C1) O
Molecular Formula
C7H14O2
Molecular Weight
130.19 g/mol
Controlled
No

Chemical Information

Cis-3-methoxycyclohexanol

structure in first source

CAS Number89794-53-6
PubChem CID249259
IUPAC Name3-methoxycyclohexan-1-ol
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP0.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity83
SMILES
COC1CCCC(C1)O
InChI
InChI=1S/C7H14O2/c1-9-7-4-2-3-6(8)5-7/h6-8H,2-5H2,1H3
InChIKey
ANRGBAYCAUTVKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cis-3-methoxycyclohexanol
CAS: 89794-53-6
CID: 249259
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity83
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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