5968-14-9
3-(2-HYDROXY-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID
Name3-(2-HYDROXY-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID
1Identification
【Name】
3-(2-HYDROXY-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD01624177
【English Synonyms】
【Formula】
C16 H21 N O4
【MolWeight】
291.345
【Inchi】
InChI=1S/C16H21NO4/c1-15(2)10(8-9-16(15,3)14(20)21)13(19)17-11-6-4-5-7-12(11)18/h4-7,10,18H,8-9H2,1-3H3,(H,17,19)(H,20,21)
【InChIKey】
InChIKey=UAGPWYKSZXTIMQ-UHFFFAOYSA-N
【SMILES】
CC1(C(CCC1(C)C(=O)O)C(=O)Nc2ccccc2O)C
【MOL File】
3-(2-HYDROXY-PHENYLC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-HYDROXY-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID.cml