Pentanoic acid, 3-methyl-2-oxo-, sodium salt


Chemical Name: Pentanoic acid, 3-methyl-2-oxo-, sodium salt
CAS Number: 3715-31-9
Product Number: AG003JPC(AGN-PC-0RDBE2)
Synonyms:
MDL No:
Molecular Formula: C6H9NaO3
Molecular Weight: 152.1236

Identification/Properties


Properties
MP:
204-206 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
152.125g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
152.045g/mol
Monoisotopic Mass:
152.045g/mol
Topological Polar Surface Area:
57.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
133
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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