571187-05-8
4-[(4-METHYL-3-OXO-1-PIPERAZINYL)METHYL]-BENZOIC ACID
Name
4-[(4-METHYL-3-OXO-1-PIPERAZINYL)METHYL]-BENZOIC ACID
Formula
C13 H16 N2 O3
MolWeight
248.28
1Identification
【Name】
4-[(4-METHYL-3-OXO-1-PIPERAZINYL)METHYL]-BENZOIC ACID
【CAS】
【MDL】
MFCD20596229
【English Synonyms】
【Formula】
C13 H16 N2 O3
【MolWeight】
248.28
【Inchi】
InChI=1S/C13H16N2O3/c1-14-6-7-15(9-12(14)16)8-10-2-4-11(5-3-10)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)
【InChIKey】
InChIKey=SAMUFAQDDMPNPO-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1=O)Cc2ccc(cc2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(4-METHYL-3-OXO-1-PIPERAZINYL)METHYL]-BENZOIC ACID.cml
Quick Release
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