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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Hexanoic acid, 5-oxo-, methyl ester

COC(=O)CCCC(=O)C Request for Quotation
Chemical Name: Hexanoic acid, 5-oxo-, methyl ester
CAS Number: 13984-50-4
Product Number: AG009D87(AGN-PC-07A23K)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties

Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
144.079g/mol
Monoisotopic Mass:
144.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
129
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

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-oxocaproate is a versatile compound widely used in chemical synthesis. Its significance lies in its ability to serve as a key intermediate in the production of various chemicals and pharmaceuticals. In organic synthesis, Methyl 5-oxocaproate is commonly employed as a building block for the synthesis of complex molecules due to its unique structural features and reactivity. This compound plays a crucial role in the creation of a diverse range of products, including fragrances, pharmaceuticals, and agrochemicals. By leveraging the specific properties of Methyl 5-oxocaproate, chemists can efficiently construct intricate molecular structures, making it an indispensable tool in the realm of synthetic chemistry.