543722-68-5
3-CYCLOHEXENE-1-CARBOXYLIC ACID,6-[(4-PYRIDINYLAMINO)CARBONYL]-
Name3-CYCLOHEXENE-1-CARBOXYLIC ACID,6-[(4-PYRIDINYLAMINO)CARBONYL]-
1Identification
【Name】
3-CYCLOHEXENE-1-CARBOXYLIC ACID,6-[(4-PYRIDINYLAMINO)CARBONYL]-
【CAS】
【MDL】
MFCD03373983
【English Synonyms】
【Formula】
C13 H14 N2 O3
【MolWeight】
246.265
【Inchi】
InChI=1S/C13H14N2O3/c16-12(15-9-5-7-14-8-6-9)10-3-1-2-4-11(10)13(17)18/h1-2,5-8,10-11H,3-4H2,(H,17,18)(H,14,15,16)
【InChIKey】
InChIKey=NXNNXVNBIVMDEC-UHFFFAOYSA-N
【SMILES】
c1cnccc1NC(=O)C2CC=CCC2C(=O)O
【MOL File】
3-CYCLOHEXENE-1-CARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYCLOHEXENE-1-CARBOXYLIC ACID,6-[(4-PYRIDINYLAMINO)CARBONYL]-.cml