Butanoic acid, 2-oxo-


Chemical Name: Butanoic acid, 2-oxo-
CAS Number: 600-18-0
Product Number: AG003HHX(AGN-PC-00UQEF)
Synonyms:
MDL No:
Molecular Formula: C4H6O3
Molecular Weight: 102.0886

Identification/Properties


Properties
MP:
30-34 °C(lit.)
BP:
84°C at 20 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.3972 (estimate)
Solubility:
H2O: soluble0.1g/mL, clear
Computed Properties
Molecular Weight:
102.089g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
102.032g/mol
Monoisotopic Mass:
102.032g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
95.1
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:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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