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79820-23-8 | 2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester
CAS No: 79820-23-8 Catalog No: AG00564W MDL No:
Product Description
Catalog Number:
AG00564W
Chemical Name:
2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester
CAS Number:
79820-23-8
Molecular Formula:
C16H10O6
Molecular Weight:
298.2470
IUPAC Name:
methyl 1,3-dihydroxy-9,10-dioxoanthracene-2-carboxylate
InChI:
InChI=1S/C16H10O6/c1-22-16(21)12-10(17)6-9-11(15(12)20)14(19)8-5-3-2-4-7(8)13(9)18/h2-6,17,20H,1H3
InChI Key:
ZNLXJSQBKSHMCK-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.25g/mol
Monoisotopic Mass:
298.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Iridoids and anthraquinones from the Malaysian medicinal plant, Saprosma scortechinii (Rubiaceae). | Chemical & pharmaceutical bulletin 20020801 |
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