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4-tert-butyl-1-(3-sulfopropyl)pyridin-1-ium

4-tert-butyl-1-(3-sulfopropyl)pyridin-1-ium

CAS: 570412-84-9

Formula: C12H20NO3S

SMILES: CC(C)(C)C1=CC=[N+](CCCS(O)(=O)=O)C=C1

IUPAC: 4-tert-butyl-1-(3-sulfopropyl)pyridin-1-ium

InChI: InChI=1S/C12H19NO3S/c1-12(2,3)11-5-8-13(9-6-11)7-4-10-17(14,15)16/h5-6,8-9H,4,7,10H2,1-3H3/p+1

Composition: C (55.79%), H (7.80%), N (5.42%), O (18.58%), S (12.41%)

Molar Mass: 258.36

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 258.115841102
Formal Charge 1
FSP3 0.58
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QMGYGZCGWOKPGR-UHFFFAOYSA-O
Lipinski's Rule of Five 1
Molar Refractivity 68.27
Topological Polar Surface Area 58.25
Polarizability 27.11
Ring Count 1
Rotatable Bond Count 5

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