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84040-74-4 | triphenylene-1,2-diyl diacetate
CAS No: 84040-74-4 Catalog No: AG004U65 MDL No:
Product Description
Catalog Number:
AG004U65
Chemical Name:
triphenylene-1,2-diyl diacetate
CAS Number:
84040-74-4
Molecular Formula:
C22H16O4
Molecular Weight:
344.3600
IUPAC Name:
(1-acetyloxytriphenylen-2-yl) acetate
InChI:
InChI=1S/C22H16O4/c1-13(23)25-20-12-11-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)21(19)22(20)26-14(2)24/h3-12H,1-2H3
InChI Key:
VJOXFQFHSCQHGT-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(ccc2c1c1ccccc1c1c2cccc1)OC(=O)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.366g/mol
Monoisotopic Mass:
344.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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