52578-48-0
1-(2-HYDROXYETHYL)PYRIDIN-1-IUM-3-CARBOXYLATE
Name1-(2-HYDROXYETHYL)PYRIDIN-1-IUM-3-CARBOXYLATE
1Identification
【Name】
1-(2-HYDROXYETHYL)PYRIDIN-1-IUM-3-CARBOXYLATE
【CAS】
【MDL】
MFCD19707208
【English Synonyms】
【Formula】
C8 H9 N O3
【MolWeight】
167.163
【Inchi】
InChI=1S/C8H9NO3/c10-5-4-9-3-1-2-7(6-9)8(11)12/h1-3,6,10H,4-5H2
【InChIKey】
InChIKey=NMLHUTLOFSMVHP-UHFFFAOYSA-N
【SMILES】
c1cc(c[n+](c1)CCO)C(=O)[O-]
【MOL File】
1-(2-HYDROXYETHYL)PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-HYDROXYETHYL)PYRIDIN-1-IUM-3-CARBOXYLATE.cml