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117961-20-3 | 3-Morpholinopropane-1-sulfonic acid, sodium salt(2:1)
CAS No: 117961-20-3 Catalog No: AG003S62 MDL No:MFCD00079461
Product Description
Catalog Number:
AG003S62
Chemical Name:
3-Morpholinopropane-1-sulfonic acid, sodium salt(2:1)
CAS Number:
117961-20-3
Molecular Formula:
C14H30N2NaO8S2
Molecular Weight:
441.5164
MDL Number:
MFCD00079461
IUPAC Name:
sodium;3-morpholin-4-ylpropane-1-sulfonate;3-morpholin-4-ylpropane-1-sulfonic acid
InChI:
InChI=1S/2C7H15NO4S.Na/c2*9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h2*1-7H2,(H,9,10,11);/q;;+1/p-1
InChI Key:
OVCWZKQPQOVIDT-UHFFFAOYSA-M
SMILES:
OS(=O)(=O)CCCN1CCOCC1.OS(=O)(=O)CCCN1CCOCC1.[Na]
EC Number:
601-500-7
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.502g/mol
Monoisotopic Mass:
440.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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