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Home > Nitro Compounds > 82-50-8
82-50-8 | 1-Anthracenesulfonicacid, 9,10-dihydro-5-nitro-9,10-dioxo-
CAS No: 82-50-8 Catalog No: AG004Z6K MDL No:MFCD00724043
Product Description
Catalog Number:
AG004Z6K
Chemical Name:
1-Anthracenesulfonicacid, 9,10-dihydro-5-nitro-9,10-dioxo-
CAS Number:
82-50-8
Molecular Formula:
C14H7NO7S
Molecular Weight:
333.2729
MDL Number:
MFCD00724043
IUPAC Name:
5-nitro-9,10-dioxoanthracene-1-sulfonic acid
InChI:
InChI=1S/C14H7NO7S/c16-13-8-4-2-6-10(23(20,21)22)12(8)14(17)7-3-1-5-9(11(7)13)15(18)19/h1-6H,(H,20,21,22)
InChI Key:
JFORTLRWSWJGGI-UHFFFAOYSA-N
SMILES:
O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-]
EC Number:
201-428-2
UNII:
HK764PW306
NSC Number:
5535
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.994g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.27g/mol
Monoisotopic Mass:
332.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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