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13745-21-6 | 2-Propen-1-one, 3-[4-(acetyloxy)phenyl]-1-[2,4-bis(acetyloxy)phenyl]-
CAS No: 13745-21-6 Catalog No: AG0013AD MDL No:
Product Description
Catalog Number:
AG0013AD
Chemical Name:
2-Propen-1-one, 3-[4-(acetyloxy)phenyl]-1-[2,4-bis(acetyloxy)phenyl]-
CAS Number:
13745-21-6
Molecular Formula:
C21H18O7
Molecular Weight:
382.3634
IUPAC Name:
[4-[3-(2,4-diacetyloxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
InChI:
InChI=1S/C21H18O7/c1-13(22)26-17-7-4-16(5-8-17)6-11-20(25)19-10-9-18(27-14(2)23)12-21(19)28-15(3)24/h4-12H,1-3H3
InChI Key:
SLOPRAJOFODBEQ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1)C=CC(=O)c1ccc(cc1OC(=O)C)OC(=O)C
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.105g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.368g/mol
Monoisotopic Mass:
382.105g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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