67637-75-6
7-(1-CARBOXYETHYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
Name7-(1-CARBOXYETHYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
7-(1-CARBOXYETHYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11520005
【English Synonyms】
【Formula】
C12 H11 N O5 S
【MolWeight】
281.287
【Inchi】
InChI=1S/C12H11NO5S/c1-5-3-7-9(14)8(12(17)18)4-13(10(7)19-5)6(2)11(15)16/h3-4,6H,1-2H3,(H,15,16)(H,17,18)
【InChIKey】
InChIKey=VDKMYZFUGQNTFY-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(=O)c(cn(c2s1)C(C)C(=O)O)C(=O)O
【MOL File】
7-(1-CARBOXYETHYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(1-CARBOXYETHYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID.cml