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88945-88-4 | 9,10-Anthracenedione, 3-[(acetyloxy)methyl]-1-hydroxy-5-methoxy-
CAS No: 88945-88-4 Catalog No: AG0047Y3 MDL No:
Product Description
Catalog Number:
AG0047Y3
Chemical Name:
9,10-Anthracenedione, 3-[(acetyloxy)methyl]-1-hydroxy-5-methoxy-
CAS Number:
88945-88-4
Molecular Formula:
C18H14O6
Molecular Weight:
326.3002
IUPAC Name:
(4-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl)methyl acetate
InChI:
InChI=1S/C18H14O6/c1-9(19)24-8-10-6-12-15(13(20)7-10)17(21)11-4-3-5-14(23-2)16(11)18(12)22/h3-7,20H,8H2,1-2H3
InChI Key:
MWWMQNIONMLTCB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1c(C2=O)c(O)cc(c1)COC(=O)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.304g/mol
Monoisotopic Mass:
326.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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