145071-31-4
1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-5-((2-PROPYNYLOXYIMINO)METH YL)-, ETHYL ESTER, (E)-
Name1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-5-((2-PROPYNYLOXYIMINO)METH YL)-, ETHYL ESTER, (E)-
1Identification
【Name】
1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-5-((2-PROPYNYLOXYIMINO)METH YL)-, ETHYL ESTER, (E)-
【CAS】
【MDL】
MFCD01692081
【English Synonyms】
【Formula】
C12 H16 N2 O3
【MolWeight】
236.269
【Inchi】
InChI=1S/C12H16N2O3/c1-3-8-17-13-9-11-6-5-7-14(10-11)12(15)16-4-2/h1,6,9H,4-5,7-8,10H2,2H3/b13-9+
【InChIKey】
InChIKey=UXHJCZJBOJLVAV-UKTHLTGXSA-N
【SMILES】
CCOC(=O)N1CCC=C(C1)/C=N/OCC#C
【MOL File】
1(2H)-PYRIDINECARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(2H)-PYRIDINECARBOXYLIC ACID, 3,6-DIHYDRO-5-((2-PROPYNYLOXYIMINO)METH YL)-, ETHYL ESTER, (E)-.cml