Butanoic acid, 3-oxo-, propyl ester


Chemical Name: Butanoic acid, 3-oxo-, propyl ester
CAS Number: 1779-60-8
Product Number: AG0025LS(AGN-PC-0JLBNQ)
Synonyms:
MDL No:
Molecular Formula: C7H12O3
Molecular Weight: 144.1684

Identification/Properties


Properties
BP:
194 °C
Storage:
Room Temperature;
Refractive Index:
1.4200-1.4240
Computed Properties
Molecular Weight:
144.17g/mol
XLogP3:
0.8
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:
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:
H227-H315-H319
Precautionary Statements:
P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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