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89827-94-1 | 1,4-Naphthalenedione, 2-(acetyloxy)-7,8-dimethoxy-5-methyl-
CAS No: 89827-94-1 Catalog No: AG003XPM MDL No:
Product Description
Catalog Number:
AG003XPM
Chemical Name:
1,4-Naphthalenedione, 2-(acetyloxy)-7,8-dimethoxy-5-methyl-
CAS Number:
89827-94-1
Molecular Formula:
C15H14O6
Molecular Weight:
290.2681
IUPAC Name:
(7,8-dimethoxy-5-methyl-1,4-dioxonaphthalen-2-yl) acetate
InChI:
InChI=1S/C15H14O6/c1-7-5-11(19-3)15(20-4)13-12(7)9(17)6-10(14(13)18)21-8(2)16/h5-6H,1-4H3
InChI Key:
RFSYNUMJXJJDJT-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1C(=O)C(=CC2=O)OC(=O)C)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.271g/mol
Monoisotopic Mass:
290.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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