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116162-03-9 | 9,10-Anthracenedione, 1,5-dimethoxy-2-(2-methyl-2-propen-1-yl)-
CAS No: 116162-03-9 Catalog No: AG000BSH MDL No:
Product Description
Catalog Number:
AG000BSH
Chemical Name:
9,10-Anthracenedione, 1,5-dimethoxy-2-(2-methyl-2-propen-1-yl)-
CAS Number:
116162-03-9
Molecular Formula:
C20H18O4
Molecular Weight:
322.3545
IUPAC Name:
1,5-dimethoxy-2-(2-methylprop-2-enyl)anthracene-9,10-dione
InChI:
InChI=1S/C20H18O4/c1-11(2)10-12-8-9-14-17(20(12)24-4)19(22)13-6-5-7-15(23-3)16(13)18(14)21/h5-9H,1,10H2,2-4H3
InChI Key:
JCYAWXQHNJXZSK-UHFFFAOYSA-N
SMILES:
COc1c(ccc2c1C(=O)c1cccc(c1C2=O)OC)CC(=C)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.36g/mol
Monoisotopic Mass:
322.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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