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115610-77-0 | 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester
CAS No: 115610-77-0 Catalog No: AG000G9H MDL No:
Product Description
Catalog Number:
AG000G9H
Chemical Name:
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-phenyl-2-propen-1-yl ester
CAS Number:
115610-77-0
Molecular Formula:
C18H16O3
Molecular Weight:
280.3178
IUPAC Name:
3-phenylprop-2-enyl 3-(4-hydroxyphenyl)prop-2-enoate
InChI:
InChI=1S/C18H16O3/c19-17-11-8-16(9-12-17)10-13-18(20)21-14-4-7-15-5-2-1-3-6-15/h1-13,19H,14H2
InChI Key:
JDBSEUVQZVQSCN-UHFFFAOYSA-N
SMILES:
O=C(C=Cc1ccc(cc1)O)OCC=Cc1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.323g/mol
Monoisotopic Mass:
280.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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