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  • 1,3-Dioxol-2-one,4,5-dimethyl
Name:1,3-Dioxol-2-one,4,5-dimethyl
CAS No:37830-90-3

PRODUCT DESCRIPTION

【Name】
1,3-Dioxol-2-one,4,5-dimethyl-
【Iupac name】
4,5-dimethyl-1,3-dioxol-2-one
【CAS Registry number】
37830-90-3
【Synonyms】
4,5-Dimethyl-2-oxo-1,3-dioxolene
4,5-Dimethyldioxol-2-one
Dimethylvinylene carbonate
4,5-Dimethyl-1,3-dioxolen-2-one
【Molecular Formula】
C5H6O3 (Products with the same molecular formula)
【Molecular Weight】
114.1
【Inchi】
InChI=1/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
【InChIKey】
QYIOFABFKUOIBV-UHFFFAOYSA-N
【Canonical SMILES】
CC1=C(OC(=O)O1)C
【MOL File】
37830-90-3.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.181 g/cm3
【Melting Point】
78oC
【Boiling Point】
117 °C at 760 mmHg
【Refractive Index】
1.454
【Flash Point】
55.8 °C
【Computed Properties】
Molecular Weight:114.09934 [g/mol]
Molecular Formula:C5H6O3
XLogP3-AA:1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:114.031694
MonoIsotopic Mass:114.031694
Topological Polar Surface Area:35.5
Heavy Atom Count:8
Formal Charge:0
Complexity:141
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
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37/39

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