Pentanoic acid, 4-methyl-2-oxo-


Chemical Name: Pentanoic acid, 4-methyl-2-oxo-
CAS Number: 816-66-0
Product Number: AG003LQB(AGN-PC-00FS03)
Synonyms:
MDL No:
Molecular Formula: C6H10O3
Molecular Weight: 130.1418

Identification/Properties


Properties
MP:
8-10 °C
BP:
82-83°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.431
Computed Properties
Molecular Weight:
130.143g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
130.063g/mol
Monoisotopic Mass:
130.063g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
126
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:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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