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81-54-9 | 1,2,4-Trihydroxyanthracene-9,10-dione
CAS No: 81-54-9 Catalog No: AG003U1M MDL No:MFCD00001203
Product Description
Catalog Number:
AG003U1M
Chemical Name:
1,2,4-Trihydroxyanthracene-9,10-dione
CAS Number:
81-54-9
Molecular Formula:
C14H8O5
Molecular Weight:
256.2103
MDL Number:
MFCD00001203
IUPAC Name:
1,2,4-trihydroxyanthracene-9,10-dione
InChI:
InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChI Key:
BBNQQADTFFCFGB-UHFFFAOYSA-N
SMILES:
Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O
EC Number:
201-359-8
UNII:
L1GT81LS6N
NSC Number:
10447
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:
2.9
Literature
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