91732-75-1
D-(4-HYDROXY-6-METHYLNICOTINAMIDE)-4-HYDROXYPHENYLACETIC ACID SODIUM
NameD-(4-HYDROXY-6-METHYLNICOTINAMIDE)-4-HYDROXYPHENYLACETIC ACID SODIUM
pro_formulaC15 H13 N2 O5 . Na
1Identification
【Name】
D-(4-HYDROXY-6-METHYLNICOTINAMIDE)-4-HYDROXYPHENYLACETIC ACID SODIUM
【CAS】
【MDL】
MFCD09033225
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H13 N2 O5 . Na
【pro_molWeight】
324.267
【Inchi】
InChI=1S/C15H14N2O5.Na/c1-8-6-12(19)11(7-16-8)14(20)17-13(15(21)22)9-2-4-10(18)5-3-9;/h2-7,13,18H,1H3,(H,16,19)(H,17,20)(H,21,22);/q;+1/p-1/t13-;/m1./s1
【InChIKey】
InChIKey=IFEDLUDBVOHUEK-BTQNPOSSSA-M
【SMILES】
Cc1cc(c(cn1)C(=O)N[C@H](c2ccc(cc2)O)C(=O)[O-])O.[Na+]
【MOL File】
D-(4-HYDROXY-6-METHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
D-(4-HYDROXY-6-METHYLNICOTINAMIDE)-4-HYDROXYPHENYLACETIC ACID SODIUM.cml