625113-61-3
2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONIC ACID
Name2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONIC ACID
1Identification
【Name】
2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONIC ACID
【CAS】
【MDL】
MFCD10687165
【English Synonyms】
【Formula】
C15 H17 Cl O5 S
【MolWeight】
344.813
【Inchi】
InChI=1S/C15H17ClO5S/c1-22(20,21)14-6-5-9(8-12(14)16)11(15(18)19)7-10-3-2-4-13(10)17/h5-6,8,10-11H,2-4,7H2,1H3,(H,18,19)
【InChIKey】
InChIKey=PGXGGUSHFUXQHF-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)c1ccc(cc1Cl)C(CC2CCCC2=O)C(=O)O
【MOL File】
2-(3-CHLORO-4-METHAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-CHLORO-4-METHANESULFONYL-PHENYL)-3-(2-OXO-CYCLOPENTYL)-PROPIONIC ACID.cml