84312-87-8
3-[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]PROPANOIC ACID
Name3-[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]PROPANOIC ACID
1Identification
【Name】
3-[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]PROPANOIC ACID
【CAS】
【MDL】
MFCD04606719
【English Synonyms】
【Formula】
C18 H16 N2 O3
【MolWeight】
308.335
【Inchi】
InChI=1S/C18H16N2O3/c1-12-6-8-13(9-7-12)20-16(10-11-17(21)22)19-15-5-3-2-4-14(15)18(20)23/h2-9H,10-11H2,1H3,(H,21,22)
【InChIKey】
InChIKey=VMHYUORJTOJXRQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)n2c(nc3ccccc3c2=O)CCC(=O)O
【MOL File】
3-[3-(4-METHYLPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[3-(4-METHYLPHENYL)-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL]PROPANOIC ACID.cml