CAS No.93803-27-1,3-FORMYL-1-(3-SULFOPROPYL)PYRIDINIUM BETAINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	93803-27-1
Name:	3-FORMYL-1-(3-SULFOPROPYL)PYRIDINIUM BETAINE

Formula:	C₉H₁₁NO₄S
Molecular Weight:	229.2529
Synonyms:	Pyridinium, 3-formyl-1-(3-sulfopropyl)-, hydroxide, innersalt;
EINECS:	298-297-7
PSA:	86.53000
LogP:	0.80270

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Specification

The CAS register number of 3-Formyl-1-(3-sulphonatopropyl)pyridinium is 93803-27-1. It also can be called as Pyridinium, 3-formyl-1-(3-sulfopropyl)-, inner salt and the IUPAC name about this chemical is 3-(3-formylpyridin-1-ium-1-yl)propane-1-sulfonate. The molecular formula about this chemical is C₉H₁₁NO₄S and the molecular weight is 229.25.

Physical properties about 3-Formyl-1-(3-sulphonatopropyl)pyridinium are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 86.53Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc[n+](CCCS([O-])(=O)=O)c1
(2)InChI: InChI=1/C9H11NO4S/c11-8-9-3-1-4-10(7-9)5-2-6-15(12,13)14/h1,3-4,7-8H,2,5-6H2
(3)InChIKey: SOPYNQPQCZIJCQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H11NO4S/c11-8-9-3-1-4-10(7-9)5-2-6-15(12,13)14/h1,3-4,7-8H,2,5-6H2
(5)Std. InChIKey: SOPYNQPQCZIJCQ-UHFFFAOYSA-N