1,3-Dioxan-5-ol

CAT: 0127-OR79841-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR79841-01Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4740-78-7

Purity

98%, mixture of isomers

Smiles

OC1COCOC1

Chemical Information

1,3-Dioxan-5-ol

CAS Number	4740-78-7
PubChem CID	78475
IUPAC Name	1,3-dioxan-5-ol
Molecular Formula	C4H8O3
Molecular Weight	104.10
XLogP	-0.8
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	48

SMILES

C1C(COCO1)O

InChI

InChI=1S/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2

InChIKey

VCKSNYNNVSOWEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4740-78-7

CID: 78475

Formula: C4H8O3

MW: 104.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.10
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	104.047344113
Monoisotopic Mass	104.047344113
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	48.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1061651-01	2- (5,5-Dimethyl-1,3-dioxan-2-yl) ethan-1-ol
OR1071231-01	2- (5,5-Dimethyl-1,3-dioxan-2-yl) -2-methylpropan-1-ol
OR1037410-01	2- (1,3-Dioxan-2-yl) ethan-1-ol
OR1003674-01	(5-Methyl-1,3-dioxan-5-yl) methanol
OR1005740	5,5-Dimethyl-1,3-dioxan-2-one
OR1023432-01	(5-Ethyl-1,3-Dioxan-5-Yl) Methanol
OR1065892-01	5- (Allyloxy) -1,3-dioxan-2-one
OR81419-01	2-Phenyl-1,3-dioxan-5-one
OR1030284-01	(5-Ethyl-1,3-Dioxan-5-Yl) Methyl Acrylate
OR917585-01	5-Methyl-5-propyl-1,3-dioxan-2-one

Catalog	Name
HY-W015923R	1,3-Dioxan-5-ol (Standard)
JH917082	1,3-Dioxan-5-ol, 2-methyl-
286493-01	2-Phenyl-1,3-dioxan-5-ol
JH917079	2-methyl-[1,3]dioxan-5-ol
sc-506163	Glycerol Formal (=1,3-Dioxan-5-ol)
419314-01	2,2-Dimethyl-1,3-dioxan-5-ol
JH600395	Cis-2-Phenyl-1,3-dioxan-5-ol
sc-321913	2,2-Dimethyl-5-vinyl-1,3-dioxan-5-ol
TRC-B170835-250MG	Benzylideneglycerol and 2-Phenyl-1,3-dioxan-5-ol (Mixture of Isomers)
TRC-D498735-5G	5-(2,4-Difluorophenyl)-2,2-dimethyl-1,3-dioxan-5-ol