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2-Methanol-1,4-dioxane

CAT: 0024-sc-482572ESize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-482572ESize:5 g
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CAS Number
29908-11-0

Chemical Information

(1,4-Dioxan-2-yl)methanol
CAS Number29908-11-0
PubChem CID12655091
IUPAC Name1,4-dioxan-2-ylmethanol
Molecular FormulaC5H10O3
Molecular Weight118.13
XLogP-0.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity64
SMILES
C1COC(CO1)CO
InChI
InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2
InChIKey
CMEPUAROFJSGJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1,4-Dioxan-2-yl)methanol
CAS: 29908-11-0
CID: 12655091
Formula: C5H10O3
MW: 118.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.13
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass118.062994177
Monoisotopic Mass118.062994177
Topological Polar Surface Area38.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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sc-3392191,4-dioxane-2-carboxylic acid
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Alternative Products

CatalogName
1596572-Methanol-1,4-dioxane
OR49072-01(2R) -1,4-Dioxane-2-methanol
MBS6084389-016-[(Phenylmethoxy)methyl]-1,4-dioxane-2-methanol
0195466-[ (Phenylmethoxy) methyl]-1,4-dioxane-2-methanol
GC4542-100mg(4S) -2,2-Dimethyl-1,3-dioxane-4-methanol
0012812-Acetate-6-[ (phenylmethoxy) methyl]-1,4-dioxane-2-methanol
MBS6078203-012-Acetate-6-[(phenylmethoxy)methyl]-1,4-dioxane-2-methanol
PDC05838-012- (Bromomethyl) -1,4-dioxane
TRC-B685645-1G2-Bromomethyl-1,4-dioxane
PC1068062- (Difluoromethyl) -1,4-dioxane

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