123333-69-7
4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE
Name4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE
FormulaC14 H13 N O . H2 O
1Identification
【Name】
4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE
【CAS】
【MDL】
MFCD00149583
【English Synonyms】
【Formula】
C14 H13 N O . H2 O
【MolWeight】
229.277
【Inchi】
InChI=1S/C14H13NO.H2O/c1-15-10-8-13(9-11-15)3-2-12-4-6-14(16)7-5-12;/h2-11H,1H3;1H2
【InChIKey】
InChIKey=YVYPWIIOYSHDAT-UHFFFAOYSA-N
【SMILES】
CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1.O
【MOL File】
4-[(1-METHYL-4(1H)-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(1-METHYL-4(1H)-PYRIDINYLIDENE)ETHYLIDENE]-2,5-CYCLOHEXADIEN-1-ONE HYDRATE.cml