CAS 30414-53-0 | Pentanoic acid, 3-oxo-, methyl ester | CAS Number 30414-53-0

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30414-53-0 | Pentanoic acid, 3-oxo-, methyl ester

CAS No: 30414-53-0 Catalog No: AG00301X MDL No:MFCD00011705

Product Description

Catalog Number:

AG00301X

Chemical Name:

Pentanoic acid, 3-oxo-, methyl ester

CAS Number:

30414-53-0

Molecular Formula:

C6H10O3

Molecular Weight:

130.1418

MDL Number:

MFCD00011705

IUPAC Name:

methyl 3-oxopentanoate

InChI:

InChI=1S/C6H10O3/c1-3-5(7)4-6(8)9-2/h3-4H2,1-2H3

InChI Key:

XJMIXEAZMCTAGH-UHFFFAOYSA-N

SMILES:

CCC(=O)CC(=O)OC

EC Number:

250-184-3

Properties

Complexity:

118

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

130.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

130.143g/mol

Monoisotopic Mass:

130.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
2-Ethyl 4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20120201
Dimethyl 3,5-diethyl-1H-pyrrole-2,4-dicarboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20110801
Studies on the synthesis and biological activitiy of 6-ethyl-4-aryl-5-methoxycarbonyl-3,4-dihydropyrimidin-2(1H)-ones.	Arzneimittel-Forschung 20070101
Synthesis of 4-aryl-3,4-dihydropyrimidin-2(1H)-thione derivatives as potential calcium channel blockers.	Bioorganic & medicinal chemistry 20061215