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113681-13-3 | 9,10-Anthracenedione, 2,6-bis(2-chloro-2-propen-1-yl)-1,5-dihydroxy-
CAS No: 113681-13-3 Catalog No: AG00099Y MDL No:
Product Description
Catalog Number:
AG00099Y
Chemical Name:
9,10-Anthracenedione, 2,6-bis(2-chloro-2-propen-1-yl)-1,5-dihydroxy-
CAS Number:
113681-13-3
Molecular Formula:
C20H14Cl2O4
Molecular Weight:
389.2288
IUPAC Name:
2,6-bis(2-chloroprop-2-enyl)-1,5-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C20H14Cl2O4/c1-9(21)7-11-3-5-13-15(17(11)23)19(25)14-6-4-12(8-10(2)22)18(24)16(14)20(13)26/h3-6,23-24H,1-2,7-8H2
InChI Key:
XILBAIOQIGHZQO-UHFFFAOYSA-N
SMILES:
ClC(=C)Cc1ccc2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1)CC(=C)Cl
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.027g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.228g/mol
Monoisotopic Mass:
388.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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