1,3-Dioxan-2-one

CAT: 0024-sc-485441Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485441Size:5 g

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CAS Number

2453-03-4

Chemical Information

Trimethylene carbonate

structure in first source

CAS Number	2453-03-4
PubChem CID	123834
IUPAC Name	1,3-dioxan-2-one
Molecular Formula	C4H6O3
Molecular Weight	102.09
XLogP	0.7
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	71

SMILES

C1COC(=O)OC1

InChI

InChI=1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2

InChIKey

YFHICDDUDORKJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2453-03-4

CID: 123834

Formula: C4H6O3

MW: 102.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	102.09
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	102.031694049
Monoisotopic Mass	102.031694049
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	71
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-498343	1,4-Dioxan-2-one
sc-275202	2,2-Dimethyl-1,3-dioxan-5-one
sc-237849	2- (1,3-Dioxan-2-yl) ethyltriphenylphosphonium bromide
sc-339218	1,4-dioxan-2-ylmethanamine
sc-339218A	1,4-dioxan-2-ylmethanamine
sc-282360	1,4-dioxan-2-ylmethylamine
sc-287264A	[1,4]Dioxan-2-ylmethylmethylamine
sc-287264	[1,4]Dioxan-2-ylmethylmethylamine
sc-225027	2- (1,3-Dioxan-2-yl) ethylzinc bromide solution
sc-238449	(2R,6R) -2-tert-Butyl-6-methyl-1,3-dioxan-4-one

Catalog	Name
FD62735-01	1,3-Dioxan-2-one
FD62736-01	1,4-Dioxan-2-one
TRC-P431910-250MG	5-(Phenylmethoxy)-1,3-dioxan-2-one
25768-5	Trimethylene Carbonate (1, 3-Dioxan-2-one)
OR1065892-01	5- (Allyloxy) -1,3-dioxan-2-one
JH920318	2-Phenyl-1,3-dioxan-5-one
TRC-D472840-5G	2,2-Dimethyl-1,3-dioxan-5-one
RCA80075-01	3,3-Dimethyl-1,4-dioxan-2-one
OR1005740	5,5-Dimethyl-1,3-dioxan-2-one
TPD50999-01	3-tert-Butyl-1,4-dioxan-2-one