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89701-80-4 | 9,10-Anthracenedione, 1,3,4,5-tetrahydroxy-2-methyl-
CAS No: 89701-80-4 Catalog No: AG0042PH MDL No:
Product Description
Catalog Number:
AG0042PH
Chemical Name:
9,10-Anthracenedione, 1,3,4,5-tetrahydroxy-2-methyl-
CAS Number:
89701-80-4
Molecular Formula:
C15H10O6
Molecular Weight:
286.2363
IUPAC Name:
1,3,4,5-tetrahydroxy-2-methylanthracene-9,10-dione
InChI:
InChI=1S/C15H10O6/c1-5-11(17)9-10(15(21)12(5)18)14(20)8-6(13(9)19)3-2-4-7(8)16/h2-4,16-18,21H,1H3
InChI Key:
ISLPQMKIYJEMAP-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1C(=O)c1c(C2=O)c(O)c(c(c1O)O)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.239g/mol
Monoisotopic Mass:
286.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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