67637-77-8
7-(3-HYDROXYPROPYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
Name7-(3-HYDROXYPROPYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
7-(3-HYDROXYPROPYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11520007
【English Synonyms】
【Formula】
C12 H13 N O4 S
【MolWeight】
267.304
【Inchi】
InChI=1S/C12H13NO4S/c1-7-5-8-10(15)9(12(16)17)6-13(3-2-4-14)11(8)18-7/h5-6,14H,2-4H2,1H3,(H,16,17)
【InChIKey】
InChIKey=LVMIRUKNFYMNER-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(=O)c(cn(c2s1)CCCO)C(=O)O
【MOL File】
7-(3-HYDROXYPROPYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(3-HYDROXYPROPYL)-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID.cml