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124854-45-1 | 9,10-Anthracenedione, 1,3,5-trihydroxy-2-(methoxymethyl)-
CAS No: 124854-45-1 Catalog No: AG000MT3 MDL No:
Product Description
Catalog Number:
AG000MT3
Chemical Name:
9,10-Anthracenedione, 1,3,5-trihydroxy-2-(methoxymethyl)-
CAS Number:
124854-45-1
Molecular Formula:
C16H12O6
Molecular Weight:
300.2629
IUPAC Name:
1,3,5-trihydroxy-2-(methoxymethyl)anthracene-9,10-dione
InChI:
InChI=1S/C16H12O6/c1-22-6-9-11(18)5-8-13(16(9)21)14(19)7-3-2-4-10(17)12(7)15(8)20/h2-5,17-18,21H,6H2,1H3
InChI Key:
QPAINZVYGPYFIU-UHFFFAOYSA-N
SMILES:
COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)c(O)ccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.266g/mol
Monoisotopic Mass:
300.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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