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123282-71-3 | 2-Propenoic acid, 3-(4-methoxyphenyl)-, 4-chlorophenyl ester, (E)- (9CI)
CAS No: 123282-71-3 Catalog No: AG000K9B MDL No:
Product Description
Catalog Number:
AG000K9B
Chemical Name:
2-Propenoic acid, 3-(4-methoxyphenyl)-, 4-chlorophenyl ester, (E)- (9CI)
CAS Number:
123282-71-3
Molecular Formula:
C16H13ClO3
Molecular Weight:
288.7256
IUPAC Name:
(4-chlorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C16H13ClO3/c1-19-14-7-2-12(3-8-14)4-11-16(18)20-15-9-5-13(17)6-10-15/h2-11H,1H3
InChI Key:
ADALIOAZKIMNBX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)Oc1ccc(cc1)Cl
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.727g/mol
Monoisotopic Mass:
288.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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