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68039-20-3 | sodium 3-pyridylpropylsulphonate
CAS No: 68039-20-3 Catalog No: AG00FZHF MDL No:
Product Description
Catalog Number:
AG00FZHF
Chemical Name:
sodium 3-pyridylpropylsulphonate
CAS Number:
68039-20-3
IUPAC Name:
sodium;3-pyridin-3-ylpropane-1-sulfonate
InChI:
InChI=1S/C8H11NO3S.Na/c10-13(11,12)6-2-4-8-3-1-5-9-7-8;/h1,3,5,7H,2,4,6H2,(H,10,11,12);/q;+1/p-1
InChI Key:
WSQAWHRSJJIJSE-UHFFFAOYSA-M
EC Number:
268-239-5
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.222g/mol
Monoisotopic Mass:
223.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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