582325-13-1
4-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]BENZOIC ACID
Name4-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]BENZOIC ACID
1Identification
【Name】
4-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]BENZOIC ACID
【CAS】
【MDL】
MFCD18312681
【English Synonyms】
【Formula】
C16 H15 N O3
【MolWeight】
269.298
【Inchi】
InChI=1S/C16H15NO3/c1-17(2)15(18)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H3,(H,19,20)
【InChIKey】
InChIKey=CPMMPKSYQSRTSZ-UHFFFAOYSA-N
【SMILES】
CN(C)C(=O)c1ccc(cc1)c2ccc(cc2)C(=O)O
【MOL File】
4-[4-(N,N-DIMETHYLAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]BENZOIC ACID.cml