849022-00-0
2-QUINOLINECARBOXYLIC ACID, 4-HYDROXY-8-(METHYLSULFONYL)-, METHYL ESTER
Name2-QUINOLINECARBOXYLIC ACID, 4-HYDROXY-8-(METHYLSULFONYL)-, METHYL ESTER
1Identification
【Name】
2-QUINOLINECARBOXYLIC ACID, 4-HYDROXY-8-(METHYLSULFONYL)-, METHYL ESTER
【CAS】
【MDL】
MFCD16877910
【English Synonyms】
【Formula】
C12 H11 N O5 S
【MolWeight】
281.287
【Inchi】
InChI=1S/C12H11NO5S/c1-18-12(15)8-6-9(14)7-4-3-5-10(11(7)13-8)19(2,16)17/h3-6H,1-2H3,(H,13,14)
【InChIKey】
InChIKey=YUMOVCANAHRWKQ-UHFFFAOYSA-N
【SMILES】
COC(=O)c1cc(c2cccc(c2n1)S(=O)(=O)C)O
【MOL File】
2-QUINOLINECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-QUINOLINECARBOXYLIC ACID, 4-HYDROXY-8-(METHYLSULFONYL)-, METHYL ESTER.cml