CAS 4100-80-5 | 3-Methyldihydrofuran-2,5-dione | CAS Number 4100-80-5

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4100-80-5 | 3-Methyldihydrofuran-2,5-dione

CAS No: 4100-80-5 Catalog No: AG003S4C MDL No:MFCD00005527

Product Description

Catalog Number:

AG003S4C

Chemical Name:

3-Methyldihydrofuran-2,5-dione

CAS Number:

4100-80-5

Molecular Formula:

C5H6O3

Molecular Weight:

114.0993

MDL Number:

MFCD00005527

IUPAC Name:

3-methyloxolane-2,5-dione

InChI:

InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h3H,2H2,1H3

InChI Key:

DFATXMYLKPCSCX-UHFFFAOYSA-N

SMILES:

O=C1CC(C(=O)O1)C

EC Number:

223-870-5

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

114.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

114.1g/mol

Monoisotopic Mass:

114.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Synthesis and evaluation of 2-substituted-6-phenyl-4,5-dihydropyridazin-3(2H)-ones as potent inodilators.	Acta pharmaceutica (Zagreb, Croatia) 20081201
Catalytic carbonylation of beta-lactones to succinic anhydrides.	Journal of the American Chemical Society 20040609
Synthesis of tricyclic analogues of methyllycaconitine using ring closing metathesis to append a B ring to an AE azabicyclic fragment.	Organic & biomolecular chemistry 20040607