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Home > Nitro Compounds > 129-37-3
129-37-3 | 1-Anthracenesulfonic acid, 9,10-dihydro-8-nitro-9,10-dioxo-
CAS No: 129-37-3 Catalog No: AG000YRK MDL No:
Product Description
Catalog Number:
AG000YRK
Chemical Name:
1-Anthracenesulfonic acid, 9,10-dihydro-8-nitro-9,10-dioxo-
CAS Number:
129-37-3
Molecular Formula:
C14H7NO7S
Molecular Weight:
333.2729
IUPAC Name:
8-nitro-9,10-dioxoanthracene-1-sulfonic acid
InChI:
InChI=1S/C14H7NO7S/c16-13-7-3-1-5-9(15(18)19)11(7)14(17)12-8(13)4-2-6-10(12)23(20,21)22/h1-6H,(H,20,21,22)
InChI Key:
VGIVZECXTZAEHI-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-]
EC Number:
204-942-5
NSC Number:
37587
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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