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115473-61-5 | 1-Anthracenecarboxylic acid, 9,10-dihydro-2,5-dihydroxy-6-methyl-9,10-dioxo-, methyl ester
CAS No: 115473-61-5 Catalog No: AG000G0X MDL No:
Product Description
Catalog Number:
AG000G0X
Chemical Name:
1-Anthracenecarboxylic acid, 9,10-dihydro-2,5-dihydroxy-6-methyl-9,10-dioxo-, methyl ester
CAS Number:
115473-61-5
Molecular Formula:
C17H12O6
Molecular Weight:
312.2736
IUPAC Name:
methyl 2,5-dihydroxy-6-methyl-9,10-dioxoanthracene-1-carboxylate
InChI:
InChI=1S/C17H12O6/c1-7-3-4-9-12(14(7)19)16(21)8-5-6-10(18)13(17(22)23-2)11(8)15(9)20/h3-6,18-19H,1-2H3
InChI Key:
VPHNLICITYBTRH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)ccc2c1C(=O)c1c(C2=O)c(O)c(cc1)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.277g/mol
Monoisotopic Mass:
312.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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