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116384-22-6 | 2-Propen-1-one, 1-[2,4-bis(acetyloxy)phenyl]-3-(4-methoxyphenyl)-, (E)- (9CI)
CAS No: 116384-22-6 Catalog No: AG000CDC MDL No:
Product Description
Catalog Number:
AG000CDC
Chemical Name:
2-Propen-1-one, 1-[2,4-bis(acetyloxy)phenyl]-3-(4-methoxyphenyl)-, (E)- (9CI)
CAS Number:
116384-22-6
Molecular Formula:
C20H18O6
Molecular Weight:
354.3533
IUPAC Name:
[3-acetyloxy-4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl] acetate
InChI:
InChI=1S/C20H18O6/c1-13(21)25-17-9-10-18(20(12-17)26-14(2)22)19(23)11-6-15-4-7-16(24-3)8-5-15/h4-12H,1-3H3
InChI Key:
DAYPOADPNZNZOU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1OC(=O)C)OC(=O)C
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.358g/mol
Monoisotopic Mass:
354.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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