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844645-02-9 | 2,3-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo-6-sulfo-
CAS No: 844645-02-9 Catalog No: AG004SFD MDL No:
Product Description
Catalog Number:
AG004SFD
Chemical Name:
2,3-Anthracenedicarboxylic acid, 9,10-dihydro-9,10-dioxo-6-sulfo-
CAS Number:
844645-02-9
Molecular Formula:
C16H8O9S
Molecular Weight:
376.2943
IUPAC Name:
9,10-dioxo-6-sulfoanthracene-2,3-dicarboxylic acid
InChI:
InChI=1S/C16H8O9S/c17-13-7-2-1-6(26(23,24)25)3-8(7)14(18)10-5-12(16(21)22)11(15(19)20)4-9(10)13/h1-5H,(H,19,20)(H,21,22)(H,23,24,25)
InChI Key:
GYVVKMMTHLJRSH-UHFFFAOYSA-N
SMILES:
O=C1c2cc(C(=O)O)c(cc2C(=O)c2c1ccc(c2)S(=O)(=O)O)C(=O)O
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.989g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
376.291g/mol
Monoisotopic Mass:
375.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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