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4,4-Dimethoxybutan-1-ol

CAT: 0572-TRC-D461710-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D461710-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23068-87-3
Hazard Statement
No Data Available
Smiles
COC(CCCO)OC
Molecular Formula
C6 H14 O3
Molecular Weight
134.174
InChI
InChI=1S/C6H14O3/c1-8-6(9-2)4-3-5-7/h6-7H,3-5H2,1-2H3
Additionnal Information
IUPAC name: 4,4-dimethoxybutan-1-ol
Shipping Conditions
Room Temperature

Chemical Information

4,4-Dimethoxybutan-1-ol
CAS Number23068-87-3
PubChem CID89988
IUPAC Name4,4-dimethoxybutan-1-ol
Molecular FormulaC6H14O3
Molecular Weight134.17
XLogP0.1
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity52
SMILES
COC(CCCO)OC
InChI
InChI=1S/C6H14O3/c1-8-6(9-2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChIKey
DDPMQWOBGOWNKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4-Dimethoxybutan-1-ol
CAS: 23068-87-3
CID: 89988
Formula: C6H14O3
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass134.094294304
Monoisotopic Mass134.094294304
Topological Polar Surface Area38.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity52.3
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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