414882-11-4
2-([(2,6-DIMETHYLPHENYL)AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID
Name2-([(2,6-DIMETHYLPHENYL)AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID
1Identification
【Name】
2-([(2,6-DIMETHYLPHENYL)AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD00586045
【English Synonyms】
【Formula】
C16 H21 N O3
【MolWeight】
275.346
【Inchi】
InChI=1S/C16H21NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,17,18)(H,19,20)
【InChIKey】
InChIKey=GOLSKGZLRARSGY-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1NC(=O)C2CCCCC2C(=O)O)C
【MOL File】
2-([(2,6-DIMETHYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([(2,6-DIMETHYLPHENYL)AMINO]CARBONYL)CYCLOHEXANECARBOXYLIC ACID.cml