16257-64-0
4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID
Name4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID
pro_formulaC12 H15 N O5 S
1Identification
【Name】
4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD00215527
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H15 N O5 S
【pro_molWeight】
285.319
【Inchi】
InChI=1S/C12H15NO5S/c1-8-2-4-10(5-3-8)19(17,18)13-7-9(14)6-11(13)12(15)16/h2-5,9,11,14H,6-7H2,1H3,(H,15,16)
【InChIKey】
InChIKey=UAFPTDLCLKLJKA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2CC(CC2C(=O)O)O
【MOL File】
4-HYDROXY-1-[(4-METH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID.cml