CAS 4166-53-4 | 4-Methyldihydro-2H-pyran-2,6(3H);-dione | CAS Number 4166-53-4

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4166-53-4 | 4-Methyldihydro-2H-pyran-2,6(3H);-dione

CAS No: 4166-53-4 Catalog No: AG003JRD MDL No:MFCD00006683

Product Description

Catalog Number:

AG003JRD

Chemical Name:

4-Methyldihydro-2H-pyran-2,6(3H);-dione

CAS Number:

4166-53-4

Molecular Formula:

C6H8O3

Molecular Weight:

128.1259

MDL Number:

MFCD00006683

IUPAC Name:

4-methyloxane-2,6-dione

InChI:

InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3

InChI Key:

MGICRVTUCPFQQZ-UHFFFAOYSA-N

SMILES:

CC1CC(=O)OC(=O)C1

EC Number:

224-020-6

Properties

Complexity:

134

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.127g/mol

Monoisotopic Mass:

128.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Studies on catalytic enantioselective total synthesis of caprazamycin B: construction of the western zone.	The Journal of organic chemistry 20121019
Synergistic organocatalysis in the kinetic resolution of secondary thiols with concomitant desymmetrization of an anhydride.	Nature chemistry 20100501
Novel bis(carboxylato)dichlorido(ethane-1,2-diamine)platinum(IV) complexes with exceptionally high cytotoxicity.	Journal of inorganic biochemistry 20081201