25728-73-8
[(4-FORMYL-5-HYDROXY-6-METHYL-3-PYRIDYL)METHYL-PHOSPHONIC ACID
Name[(4-FORMYL-5-HYDROXY-6-METHYL-3-PYRIDYL)METHYL-PHOSPHONIC ACID
1Identification
【Name】
[(4-FORMYL-5-HYDROXY-6-METHYL-3-PYRIDYL)METHYL-PHOSPHONIC ACID
【CAS】
【MDL】
MFCD16876290
【English Synonyms】
【Formula】
C8 H10 N O5 P
【MolWeight】
231.143
【Inchi】
InChI=1S/C8H10NO5P/c1-5-8(11)7(3-10)6(2-9-5)4-15(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
【InChIKey】
InChIKey=MJHZPNZKADTPDP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(cn1)CP(=O)(O)O)C=O)O
【MOL File】
[(4-FORMYL-5-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[(4-FORMYL-5-HYDROXY-6-METHYL-3-PYRIDYL)METHYL-PHOSPHONIC ACID.cml