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1506054-06-3

1506054-06-3 | SODIUM 2-METHOXY-4-NITROBENZENE-1-SULFINATE

CAS No: 1506054-06-3 Catalog No: AG01C8EB MDL No:MFCD24113331

Product Description

Catalog Number:
AG01C8EB
Chemical Name:
SODIUM 2-METHOXY-4-NITROBENZENE-1-SULFINATE
CAS Number:
1506054-06-3
Molecular Formula:
C7H6NNaO5S
Molecular Weight:
239.1810
MDL Number:
MFCD24113331
IUPAC Name:
sodium;2-methoxy-4-nitrobenzenesulfinate
InChI:
InChI=1S/C7H7NO5S.Na/c1-13-6-4-5(8(9)10)2-3-7(6)14(11)12;/h2-4H,1H3,(H,11,12);/q;+1/p-1
InChI Key:
WDZQKKMSRNFXJF-UHFFFAOYSA-M
SMILES:
COc1cc(ccc1S(=O)[O-])[N+](=O)[O-].[Na+]

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.986g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.177g/mol
Monoisotopic Mass:
238.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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