Butanoic acid, 2-acetyl-3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 2-acetyl-3-oxo-, ethyl ester
CAS Number: 603-69-0
Product Number: AG003QEQ(AGN-PC-0JLRRN)
Synonyms:
MDL No:
Molecular Formula: C8H12O4
Molecular Weight: 172.1785

Identification/Properties


Properties
BP:
210.0°C
Storage:
Room Temperature;Keep in dry area;
Form:
Liquid
Refractive Index:
n20/D 1.47(lit.)
Computed Properties
Molecular Weight:
172.18g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
172.074g/mol
Monoisotopic Mass:
172.074g/mol
Topological Polar Surface Area:
60.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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:
P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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