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Cinnamyl Isobutyrate

CAS No.:
103-59-3
Catalog Number:
AG0085LY
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG0085LY
Chemical Name:
Cinnamyl Isobutyrate
CAS Number:
103-59-3
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD00048316
IUPAC Name:
[(E)-3-phenylprop-2-enyl] 2-methylpropanoate
InChI:
InChI=1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
InChI Key:
KLKQSZIWHVEARN-RMKNXTFCSA-N
SMILES:
CC(C(=O)OCC=Cc1ccccc1)C
EC Number:
203-126-6
UNII:
C286CMK03D
NSC Number:
46133
FEMA Number:
2297
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Fragrance material review on cinnamyl isobutyrate. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101
Fragrance material review on cinnamyl butyrate. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101
Properties