785718-92-5
2-PROPENOIC ACID, 3-[5-HYDROXY-4-(MERCAPTOMETHYL)-6-METHYL-3-PYRIDINYL]-
Name
2-PROPENOIC ACID, 3-[5-HYDROXY-4-(MERCAPTOMETHYL)-6-METHYL-3-PYRIDINYL]-
Formula
C10 H11 N O3 S
MolWeight
225.267
1Identification
【Name】
2-PROPENOIC ACID, 3-[5-HYDROXY-4-(MERCAPTOMETHYL)-6-METHYL-3-PYRIDINYL]-
【CAS】
【MDL】
MFCD18832793
【English Synonyms】
【Formula】
C10 H11 N O3 S
【MolWeight】
225.267
【Inchi】
InChI=1S/C10H11NO3S/c1-6-10(14)8(5-15)7(4-11-6)2-3-9(12)13/h2-4,14-15H,5H2,1H3,(H,12,13)/b3-2-
【InChIKey】
InChIKey=YTUJOIBANZSALF-IHWYPQMZSA-N
【SMILES】
Cc1c(c(c(cn1)/C=C\C(=O)O)CS)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PROPENOIC ACID, 3-[5-HYDROXY-4-(MERCAPTOMETHYL)-6-METHYL-3-PYRIDINYL]-.cml
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