74401-04-0
N-METHYL-4-(P-FORMYLSTYRYL)PYRIDINIUM METHYLSULFATE
NameN-METHYL-4-(P-FORMYLSTYRYL)PYRIDINIUM METHYLSULFATE
FormulaC15 H14 N O . C H3 O4 S
1Identification
【Name】
N-METHYL-4-(P-FORMYLSTYRYL)PYRIDINIUM METHYLSULFATE
【CAS】
【MDL】
MFCD04038138
【English Synonyms】
【Formula】
C15 H14 N O . C H3 O4 S
【MolWeight】
335.378
【Inchi】
InChI=1S/C15H14NO.CH4O4S/c1-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13;1-5-6(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)/q+1;/p-1/b3-2+;
【InChIKey】
InChIKey=HQMZBKRNRWIDME-SQQVDAMQSA-M
【SMILES】
C[n+]1ccc(cc1)/C=C/c2ccc(cc2)C=O.COS(=O)(=O)[O-]
【MOL File】
N-METHYL-4-(P-FORMYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHYL-4-(P-FORMYLSTYRYL)PYRIDINIUM METHYLSULFATE.cml