855294-67-6
3-CARBOXY-4-HYDROXY-2-METHYL-ISOQUINOLINIUM
Name3-CARBOXY-4-HYDROXY-2-METHYL-ISOQUINOLINIUM
1Identification
【Name】
3-CARBOXY-4-HYDROXY-2-METHYL-ISOQUINOLINIUM
【CAS】
【MDL】
MFCD16878070
【English Synonyms】
【Formula】
C11 H10 N O3
【MolWeight】
204.204
【Inchi】
InChI=1S/C11H9NO3/c1-12-6-7-4-2-3-5-8(7)10(13)9(12)11(14)15/h2-6H,1H3,(H-,13,14,15)/p+1
【InChIKey】
InChIKey=FCDIGCMIUSSYOI-UHFFFAOYSA-O
【SMILES】
C[n+]1cc2ccccc2c(c1C(=O)O)O
【MOL File】
3-CARBOXY-4-HYDROXY-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CARBOXY-4-HYDROXY-2-METHYL-ISOQUINOLINIUM.cml