791041-95-7
5-FORMYL-3,4-DIMETHYL-1H-PYRROLE-2-SULFONIC ACID
Name
5-FORMYL-3,4-DIMETHYL-1H-PYRROLE-2-SULFONIC ACID
Formula
C7 H9 N O4 S
MolWeight
203.217
1Identification
【Name】
5-FORMYL-3,4-DIMETHYL-1H-PYRROLE-2-SULFONIC ACID
【CAS】
【MDL】
MFCD18810259
【English Synonyms】
【Formula】
C7 H9 N O4 S
【MolWeight】
203.217
【Inchi】
InChI=1S/C7H9NO4S/c1-4-5(2)7(13(10,11)12)8-6(4)3-9/h3,8H,1-2H3,(H,10,11,12)
【InChIKey】
InChIKey=XKNOCBMETYYUOC-UHFFFAOYSA-N
【SMILES】
Cc1c(c([nH]c1C=O)S(=O)(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-FORMYL-3,4-DIMETHYL-1H-PYRROLE-2-SULFONIC ACID.cml
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