Pentanoic acid, 3-oxo-, methyl ester


Chemical Name: Pentanoic acid, 3-oxo-, methyl ester
CAS Number: 30414-53-0
Product Number: AG00301X(AGN-PC-0BXAEA)
Synonyms:
MDL No: MFCD00011705
Molecular Formula: C6H10O3
Molecular Weight: 130.1418

Identification/Properties


Properties
MP:
-35 °C
BP:
207.8°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.422(lit.)
Computed Properties
Molecular Weight:
130.143g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
130.063g/mol
Monoisotopic Mass:
130.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
118
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#:
N/A
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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