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122-68-9 | 2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester
CAS No: 122-68-9 Catalog No: AG0016IX MDL No:
Product Description
Catalog Number:
AG0016IX
Chemical Name:
2-Propenoic acid, 3-phenyl-, 3-phenylpropyl ester
CAS Number:
122-68-9
Molecular Formula:
C18H18O2
Molecular Weight:
266.3343
IUPAC Name:
3-phenylpropyl 3-phenylprop-2-enoate
InChI:
InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2
InChI Key:
LYRAHIUDQRJGGZ-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccccc1)OCCCc1ccccc1
EC Number:
204-565-6
FEMA Number:
2894
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.34g/mol
Monoisotopic Mass:
266.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Fragrance material review on 3-phenylpropyl cinnamate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20111201 |
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