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128502-98-7 | 2-Anthracenecarboxylic acid, 3-acetyl-9,10-dihydro-1-hydroxy-6,8-dimethoxy-9,10-dioxo-
CAS No: 128502-98-7 Catalog No: AG000Y5M MDL No:
Product Description
Catalog Number:
AG000Y5M
Chemical Name:
2-Anthracenecarboxylic acid, 3-acetyl-9,10-dihydro-1-hydroxy-6,8-dimethoxy-9,10-dioxo-
CAS Number:
128502-98-7
Molecular Formula:
C19H14O8
Molecular Weight:
370.3097
IUPAC Name:
3-acetyl-1-hydroxy-6,8-dimethoxy-9,10-dioxoanthracene-2-carboxylic acid
InChI:
InChI=1S/C19H14O8/c1-7(20)9-6-11-14(18(23)15(9)19(24)25)17(22)13-10(16(11)21)4-8(26-2)5-12(13)27-3/h4-6,23H,1-3H3,(H,24,25)
InChI Key:
SDAQJZPLALEKQP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C(=O)C)C(=O)O
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.069g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.313g/mol
Monoisotopic Mass:
370.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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