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84796-16-7 | 2-Propenoic acid, 3-phenyl-, 4-acetylphenyl ester
CAS No: 84796-16-7 Catalog No: AG004RGG MDL No:
Product Description
Catalog Number:
AG004RGG
Chemical Name:
2-Propenoic acid, 3-phenyl-, 4-acetylphenyl ester
CAS Number:
84796-16-7
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
(4-acetylphenyl) 3-phenylprop-2-enoate
InChI:
InChI=1S/C17H14O3/c1-13(18)15-8-10-16(11-9-15)20-17(19)12-7-14-5-3-2-4-6-14/h2-12H,1H3
InChI Key:
FHZWBHDYSWXZGX-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1)C(=O)C)C=Cc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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