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82-29-1 | 9,10-Anthracenedione,1,2,6-trihydroxy-
CAS No: 82-29-1 Catalog No: AG004ZYF MDL No:
Product Description
Catalog Number:
AG004ZYF
Chemical Name:
9,10-Anthracenedione,1,2,6-trihydroxy-
CAS Number:
82-29-1
Molecular Formula:
C14H8O5
Molecular Weight:
256.2103
IUPAC Name:
1,2,6-trihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H8O5/c15-6-1-2-7-9(5-6)12(17)8-3-4-10(16)14(19)11(8)13(7)18/h1-5,15-16,19H
InChI Key:
QWPVOAUJFKGLQA-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(=O)c1c(C2=O)c(O)c(cc1)O
UNII:
1GOF8W8XSL
NSC Number:
401141
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.037g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.213g/mol
Monoisotopic Mass:
256.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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