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84302-15-8 | 2-Pentene-1,4-dione, 3-(benzoyloxy)-1-phenyl-, (Z)-
CAS No: 84302-15-8 Catalog No: AG004XYM MDL No:
Product Description
Catalog Number:
AG004XYM
Chemical Name:
2-Pentene-1,4-dione, 3-(benzoyloxy)-1-phenyl-, (Z)-
CAS Number:
84302-15-8
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
(1,4-dioxo-1-phenylpent-2-en-3-yl) benzoate
InChI:
InChI=1S/C18H14O4/c1-13(19)17(12-16(20)14-8-4-2-5-9-14)22-18(21)15-10-6-3-7-11-15/h2-12H,1H3
InChI Key:
JFTOXAKWPWOGHL-UHFFFAOYSA-N
SMILES:
CC(=O)/C(=C/C(=O)c1ccccc1)/OC(=O)c1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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