527707-65-9
1-[(5,6-DIHYDROXY-1,3-CYCLOHEXADIEN-1-YL)METHYL]-4-PIPERIDINONE
Name1-[(5,6-DIHYDROXY-1,3-CYCLOHEXADIEN-1-YL)METHYL]-4-PIPERIDINONE
1Identification
【Name】
1-[(5,6-DIHYDROXY-1,3-CYCLOHEXADIEN-1-YL)METHYL]-4-PIPERIDINONE
【CAS】
【MDL】
MFCD18820729
【English Synonyms】
【Formula】
C12 H17 N O3
【MolWeight】
223.27
【Inchi】
InChI=1S/C12H17NO3/c14-10-4-6-13(7-5-10)8-9-2-1-3-11(15)12(9)16/h1-3,11-12,15-16H,4-8H2
【InChIKey】
InChIKey=VGUJVMSOKRKBDW-UHFFFAOYSA-N
【SMILES】
C1CN(CCC1=O)CC2=CC=CC(C2O)O
【MOL File】
1-[(5,6-DIHYDROXY-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(5,6-DIHYDROXY-1,3-CYCLOHEXADIEN-1-YL)METHYL]-4-PIPERIDINONE.cml