938118-92-4
4-((4-oxopiperidin-1-yl)methyl)benzoic acid
Name4-((4-oxopiperidin-1-yl)methyl)benzoic acid
1Identification
【Name】
4-((4-oxopiperidin-1-yl)methyl)benzoic acid
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H15NO3
【MolWeight】
233.2631
【Inchi】
InChI=1S/C13H15NO3/c15-12-5-7-14(8-6-12)9-10-1-3-11(4-2-10)13(16)17/h1-4H,5-9H2,(H,16,17)
【InChIKey】
InChIKey=FCLAJFNVRMHCAB-UHFFFAOYSA-N
【SMILES】
O=C1CCN(CC1)CC1=CC=C(C(=O)O)C=C1
【MOL File】
4-((4-oxopiperidin-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-oxopiperidin-1-yl)methyl)benzoic acid.cml