AG001WFD

165947-48-8 | Thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester

AG001WFD

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CAS Number	165947-48-8
Catalog Number	AG001WFD(AGN-PC-01LR5F)
Chemical Name	Thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester
IUPAC Name	5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
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)
InChI Key	VYACEHZLOWZZEV-UHFFFAOYSA-N
MDL Number	MFCD08448165
Molecular Formula	C13H17NO4S
Molecular Weight	283.3434
SMILES	O=C(C(S1)=CC2=C1CCN(C(OC(C)(C)C)=O)C2)O
Synonyms	165947-48-8, 5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid, 5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid, 5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylicacid, 5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxylic acid, 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno-[3,2-c]pyridine-2-carboxylic acid, 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid, VYACEHZLOWZZEV-UHFFFAOYSA-N, PubChem17786, thieno[3,2-c]pyridine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 5-(1,1-dimethylethyl) ester, 5-(tert-butoxycarbonyl)-4, SCHEMBL743782, 2-c]pyridine-2-carboxylic acid, CTK8B5362, DTXSID40590490, KS-00000K0F, ANW-48505, AS0099, MFCD08448165, SC2871, ZINC30678279, AKOS005264179, CS-W006800, HP12104, PB11831, RP07673, RTC-068399, VP12424, AJ-84034, AK-27478, AN-30954, BR-27478, DS-10816, EN000807, SC-35560, AB0022693, DB-043638, ST2418585, TC-068399, 4CH-012815, AM20080469, FT-0643591, W3610, S-6475, 947B488, I04-1333, W-205951, 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3, I14-12215, Z1741978416, 5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-, 5-(BOC)-4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid, 5-(tert-butoxycarbonyl)-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxylic acid, 5 - Boc - 4,5,6,7 - tetrahydrothieno[3,2 - c]pyridine - 2 - carboxylic acid, 5-(Tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2carboxylic acid, 5-t-Butoxycarbonyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine-2-carboxylic acid, 5-t-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-carboxylic acid, 5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-carboxylic acid, 5-tert-butoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid, 5-tert-butoxycarbonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid, 6,7-DIHYDRO-4H-THIENO[3,2-C]PYRIDINE-2,5-DICARBOXYLIC ACID 5-TERT-BUTYL ESTER, ethyl 3-oxotetradecanoate, C13H17NO4S, A3679, 74124-22-4,

Complexity	379
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.088g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	283.342g/mol
Monoisotopic Mass	283.088g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	95.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number