2,2-Dimethoxypropane-1,3-diol

CAT: 0127-OR1021119Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1021119Size:1 Each

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CAS Number

153214-82-5

Purity

=95%

Smiles

COC(CO)(CO)OC

Chemical Information

2,2-Dimethoxypropane-1,3-diol

CAS Number	153214-82-5
PubChem CID	11126310
IUPAC Name	2,2-dimethoxypropane-1,3-diol
Molecular Formula	C5H12O4
Molecular Weight	136.15
XLogP	-1.5
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	63

SMILES

COC(CO)(CO)OC

InChI

InChI=1S/C5H12O4/c1-8-5(3-6,4-7)9-2/h6-7H,3-4H2,1-2H3

InChIKey

HYRZFKCRTXTLLZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153214-82-5

CID: 11126310

Formula: C5H12O4

MW: 136.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.15
XLogP3	-1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	136.07355886
Monoisotopic Mass	136.07355886
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	63.4
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
sc-283300A	2,2-Dimethoxypropane-1,3-diol
HAA77885-01	1,2-Dimethoxypropane
BGD58711-01	2,3-Dimethoxypropane-1-sulfonamide
QDA32139-01	2-Bromo-1,3-dimethoxypropane
HY-W005012-01	1,3-Dibromo-2,2-dimethoxypropane
AZC96317-01	1,3-Dimethoxypropane-2-sulfonamide
904021	2,2‐DIMETHOXYPROPANE
159786	2,2-Dimethoxypropane
HBA73070-01	1-Chloro-2,2-dimethoxypropane
sc-222665A	1-Bromo-2,2-dimethoxypropane