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101622-71-3 | 2-Anthracenemethanesulfonic acid, 9,10-dihydro-9,10-dioxo-
CAS No: 101622-71-3 Catalog No: AG0004Z5 MDL No:
Product Description
Catalog Number:
AG0004Z5
Chemical Name:
2-Anthracenemethanesulfonic acid, 9,10-dihydro-9,10-dioxo-
CAS Number:
101622-71-3
Molecular Formula:
C15H10O5S
Molecular Weight:
302.3019
IUPAC Name:
(9,10-dioxoanthracen-2-yl)methanesulfonic acid
InChI:
InChI=1S/C15H10O5S/c16-14-10-3-1-2-4-11(10)15(17)13-7-9(5-6-12(13)14)8-21(18,19)20/h1-7H,8H2,(H,18,19,20)
InChI Key:
IHOKJUXZZAWMFX-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2C(=O)c2c1cccc2)CS(=O)(=O)O
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.3g/mol
Monoisotopic Mass:
302.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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