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87712-28-5 | 9,10-Anthracenedione, 1,4-bis(acetyloxy)-2-chloro-8-hydroxy-
CAS No: 87712-28-5 Catalog No: AG004GHP MDL No:
Product Description
Catalog Number:
AG004GHP
Chemical Name:
9,10-Anthracenedione, 1,4-bis(acetyloxy)-2-chloro-8-hydroxy-
CAS Number:
87712-28-5
Molecular Formula:
C18H11ClO7
Molecular Weight:
374.7287
IUPAC Name:
(4-acetyloxy-3-chloro-5-hydroxy-9,10-dioxoanthracen-1-yl) acetate
InChI:
InChI=1S/C18H11ClO7/c1-7(20)25-12-6-10(19)18(26-8(2)21)15-14(12)16(23)9-4-3-5-11(22)13(9)17(15)24/h3-6,22H,1-2H3
InChI Key:
QVLLJPUIXBLTKQ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(Cl)c(c2c1C(=O)c1c(C2=O)c(O)ccc1)OC(=O)C
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.019g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.729g/mol
Monoisotopic Mass:
374.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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