Butanoic acid, 3-phenyl-2-propenyl ester


Chemical Name: Butanoic acid, 3-phenyl-2-propenyl ester
CAS Number: 103-61-7
Product Number: AG003OL9(AGN-PC-0JK87A)
Synonyms:
MDL No:
Molecular Formula: C13H16O2
Molecular Weight: 204.2649

Identification/Properties


Properties
BP:
313.2°C at 760 mmHg
Computed Properties
Molecular Weight:
204.269g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
204.115g/mol
Monoisotopic Mass:
204.115g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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