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76339-58-7 | 2-Propen-1-one, 1-[2-(acetyloxy)-1-naphthalenyl]-3-phenyl-
CAS No: 76339-58-7 Catalog No: AG005DZ7 MDL No:
Product Description
Catalog Number:
AG005DZ7
Chemical Name:
2-Propen-1-one, 1-[2-(acetyloxy)-1-naphthalenyl]-3-phenyl-
CAS Number:
76339-58-7
Molecular Formula:
C21H16O3
Molecular Weight:
316.3499
IUPAC Name:
[1-(3-phenylprop-2-enoyl)naphthalen-2-yl] acetate
InChI:
InChI=1S/C21H16O3/c1-15(22)24-20-14-12-17-9-5-6-10-18(17)21(20)19(23)13-11-16-7-3-2-4-8-16/h2-14H,1H3
InChI Key:
LTURKRUSMZHYPD-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1C(=O)C=Cc1ccccc1)cccc2
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.356g/mol
Monoisotopic Mass:
316.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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