56405-61-9
2-METHYL-1-(3-SULFOPROPYL)PYRIDINIUM HYDROXIDE, INNER SALT
Name2-METHYL-1-(3-SULFOPROPYL)PYRIDINIUM HYDROXIDE, INNER SALT
1Identification
【Name】
2-METHYL-1-(3-SULFOPROPYL)PYRIDINIUM HYDROXIDE, INNER SALT
【CAS】
【MDL】
MFCD00032140
【English Synonyms】
【Formula】
C9 H13 N O3 S
【MolWeight】
215.272
【Inchi】
InChI=1S/C9H13NO3S/c1-9-5-2-3-6-10(9)7-4-8-14(11,12)13/h2-3,5-6H,4,7-8H2,1H3
【InChIKey】
InChIKey=MTCXCYYDFLRQJM-UHFFFAOYSA-N
【SMILES】
Cc1cccc[n+]1CCCS(=O)(=O)[O-]
【MOL File】
2-METHYL-1-(3-SULFOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-1-(3-SULFOPROPYL)PYRIDINIUM HYDROXIDE, INNER SALT.cml