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Home Other Building Blocks sodium 3-acetamido-4-methoxybenzene-1-sulfinate

sodium 3-acetamido-4-methoxybenzene-1-sulfinate

CAS No.:
194723-11-0
Catalog Number:
AG01AMZL
Molecular Formula:
C9H10NNaO4S
Molecular Weight:
251.2348
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Product Description
Catalog Number:
AG01AMZL
Chemical Name:
sodium 3-acetamido-4-methoxybenzene-1-sulfinate
CAS Number:
194723-11-0
Molecular Formula:
C9H10NNaO4S
Molecular Weight:
251.2348
MDL Number:
MFCD00136962
IUPAC Name:
sodium;3-acetamido-4-methoxybenzenesulfinate
InChI:
InChI=1S/C9H11NO4S.Na/c1-6(11)10-8-5-7(15(12)13)3-4-9(8)14-2;/h3-5H,1-2H3,(H,10,11)(H,12,13);/q;+1/p-1
InChI Key:
KCEXVVUCPNAZNA-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1NC(=O)C)S(=O)[O-].[Na+]
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.232g/mol
Monoisotopic Mass:
251.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties