Home Other Building Blocks Benzenesulfinic acid, 3,4-dimethoxy-, sodium salt

Benzenesulfinic acid, 3,4-dimethoxy-, sodium salt

CAS No.:
123065-25-8
Catalog Number:
AG01C86K
Molecular Formula:
C8H9NaO4S
Molecular Weight:
224.2094
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Product Description
Catalog Number:
AG01C86K
Chemical Name:
Benzenesulfinic acid, 3,4-dimethoxy-, sodium salt
CAS Number:
123065-25-8
Molecular Formula:
C8H9NaO4S
Molecular Weight:
224.2094
MDL Number:
MFCD16620433
IUPAC Name:
sodium;3,4-dimethoxybenzenesulfinate
InChI:
InChI=1S/C8H10O4S.Na/c1-11-7-4-3-6(13(9)10)5-8(7)12-2;/h3-5H,1-2H3,(H,9,10);/q;+1/p-1
InChI Key:
ZZOBQFHCDOZDRH-UHFFFAOYSA-M
SMILES:
COc1cc(ccc1OC)S(=O)[O-].[Na+]
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.206g/mol
Monoisotopic Mass:
224.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties