Pentanoic acid, 4-oxo-2-propyl-


Chemical Name: Pentanoic acid, 4-oxo-2-propyl-
CAS Number: 688-04-0
Product Number: AG00344M(AGN-PC-0JY2BE)
Synonyms:
MDL No:
Molecular Formula: C8H14O3
Molecular Weight: 158.1950

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
158.197g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
158.094g/mol
Monoisotopic Mass:
158.094g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
151
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:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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