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89607-90-9 | 9,10-Anthracenedione, 2-(1-acetyl-2-oxopropyl)-3-chloro-1,4-dihydroxy-
CAS No: 89607-90-9 Catalog No: AG003YQK MDL No:
Product Description
Catalog Number:
AG003YQK
Chemical Name:
9,10-Anthracenedione, 2-(1-acetyl-2-oxopropyl)-3-chloro-1,4-dihydroxy-
CAS Number:
89607-90-9
Molecular Formula:
C19H13ClO6
Molecular Weight:
372.7559
IUPAC Name:
2-chloro-3-(2,4-dioxopentan-3-yl)-1,4-dihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C19H13ClO6/c1-7(21)11(8(2)22)12-15(20)19(26)14-13(18(12)25)16(23)9-5-3-4-6-10(9)17(14)24/h3-6,11,25-26H,1-2H3
InChI Key:
MQQNBXNCJKIPAY-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1c(O)c2C(=O)c3ccccc3C(=O)c2c(c1Cl)O)C(=O)C
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.04g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.757g/mol
Monoisotopic Mass:
372.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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