Butanoic acid, 3-oxo-, phenylmethyl ester


Chemical Name: Butanoic acid, 3-oxo-, phenylmethyl ester
CAS Number: 5396-89-4
Product Number: AG003O3W(AGN-PC-0JMSIK)
Synonyms:
MDL No:
Molecular Formula: C11H12O3
Molecular Weight: 192.2112

Identification/Properties


Properties
BP:
298.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.512(lit.)
Solubility:
It is soluble in alkali solutions.
Computed Properties
Molecular Weight:
192.214g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
192.079g/mol
Monoisotopic Mass:
192.079g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
205
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#:
-
Hazard Statements:
H315-H319-H412
Precautionary Statements:
P273-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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