4332-79-0
1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
Name
1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
Formula
C13 H11 N O3
MolWeight
229.234
1Identification
【Name】
1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD00101801
【English Synonyms】
【Formula】
C13 H11 N O3
【MolWeight】
229.234
【Inchi】
InChI=1S/C13H11NO3/c15-12-7-6-11(13(16)17)9-14(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)
【InChIKey】
InChIKey=LDTBMEOGSQFGDK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cn2cc(ccc2=O)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
1-BENZYL-6-OXO-1,6-DIHYDRO-3-PYRIDINECARBOXYLIC ACID.cml
Quick Release
3-(2-BROMO-4-METHYLPHENOXY)PYRAZINE-2-CARBOTHIOAMIDE
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