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79820-24-9 | 9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-(methoxymethyl)-
CAS No: 79820-24-9 Catalog No: AG005GZT MDL No:
Product Description
Catalog Number:
AG005GZT
Chemical Name:
9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-(methoxymethyl)-
CAS Number:
79820-24-9
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
3-hydroxy-1-methoxy-2-(methoxymethyl)anthracene-9,10-dione
InChI:
InChI=1S/C17H14O5/c1-21-8-12-13(18)7-11-14(17(12)22-2)16(20)10-6-4-3-5-9(10)15(11)19/h3-7,18H,8H2,1-2H3
InChI Key:
NVVVVKLKMLQLMW-UHFFFAOYSA-N
SMILES:
COCc1c(O)cc2c(c1OC)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| New anthracene derivatives from Coussarea macrophylla. | Journal of natural products 20030701 |
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