165947-48-8
5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID
Name5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID
1Identification
【Name】
5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08448165
【English Synonyms】
【Formula】
C13 H17 N O4 S
【MolWeight】
283.346
【Inchi】
InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14-5-4-9-8(7-14)6-10(19-9)11(15)16/h6H,4-5,7H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=VYACEHZLOWZZEV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c(cc(s2)C(=O)O)C1
【MOL File】
5-(TERT-BUTOXYCARBON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(TERT-BUTOXYCARBONYL)-4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID.cml