67637-73-4
7-ALLYL-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
Name7-ALLYL-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
7-ALLYL-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11520003
【English Synonyms】
【Formula】
C12 H11 N O3 S
【MolWeight】
249.289
【Inchi】
InChI=1S/C12H11NO3S/c1-3-4-13-6-9(12(15)16)10(14)8-5-7(2)17-11(8)13/h3,5-6H,1,4H2,2H3,(H,15,16)
【InChIKey】
InChIKey=JLOMOYZROYHMHL-UHFFFAOYSA-N
【SMILES】
Cc1cc2c(=O)c(cn(c2s1)CC=C)C(=O)O
【MOL File】
7-ALLYL-2-METHYL-4-O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-ALLYL-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID.cml