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116293-88-0 | 9-Anthracenebutanoic acid, 9,10-dihydro-4,5-dihydroxy-γ,10-dioxo-, ethyl ester
CAS No: 116293-88-0 Catalog No: AG000C4K MDL No:
Product Description
Catalog Number:
AG000C4K
Chemical Name:
9-Anthracenebutanoic acid, 9,10-dihydro-4,5-dihydroxy-γ,10-dioxo-, ethyl ester
CAS Number:
116293-88-0
Molecular Formula:
C20H18O6
Molecular Weight:
354.3533
IUPAC Name:
ethyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
InChI:
InChI=1S/C20H18O6/c1-2-26-16(24)10-9-15(23)17-11-5-3-7-13(21)18(11)20(25)19-12(17)6-4-8-14(19)22/h3-8,17,21-22H,2,9-10H2,1H3
InChI Key:
NPVYNFQZZZKDEI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O
NSC Number:
633383
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.358g/mol
Monoisotopic Mass:
354.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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