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Home > Nitro Compounds > 128-90-5
128-90-5 | 2,7-Anthracenedisulfonic acid, 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxo-
CAS No: 128-90-5 Catalog No: AG000XOB MDL No:
Product Description
Catalog Number:
AG000XOB
Chemical Name:
2,7-Anthracenedisulfonic acid, 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxo-
CAS Number:
128-90-5
Molecular Formula:
C14H6N2O14S2
Molecular Weight:
490.3324
IUPAC Name:
1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulfonic acid
InChI:
InChI=1S/C14H6N2O14S2/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30/h1-2,17-18H,(H,25,26,27)(H,28,29,30)
InChI Key:
JJRLFGKLVBSIQX-UHFFFAOYSA-N
SMILES:
O=C1c2c(O)c(cc(c2C(=O)c2c1c(O)c(cc2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O
EC Number:
204-917-9
Properties
Complexity:
983
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.926g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
490.322g/mol
Monoisotopic Mass:
489.926g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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