AG000L4E

123811-87-0 | 1,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester

AG000L4E

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CAS Number	123811-87-0
Catalog Number	AG000L4E(AGN-PC-02KLC3)
Chemical Name	1,2(2H)-Quinolinedicarboxylic acid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
InChI	InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChI Key	NGYOAZMYTIAOTI-UHFFFAOYSA-N
MDL Number	MFCD04115277
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	CC(C)(C)OC(=O)N1C(CCC2=C1C=CC=C2)C(O)=O
Synonyms	123811-87-0, 1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 1-Boc-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid, 1-boc-3,4-dihydro-2h-quinoline-2-carboxylic acid, Q-102319, 1-boc-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 1,2(2H)-Quinolinedicarboxylicacid, 3,4-dihydro-, 1-(1,1-dimethylethyl) ester, 1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid, ACMC-20a2ty, SCHEMBL1050563, CTK4B3643, DTXSID10600333, NGYOAZMYTIAOTI-UHFFFAOYSA-N, 4522AA, ANW-54596, MFCD04115277, AKOS015841426, CB-3073, RTC-061335, AK-55654, AS-38485, OR313084, AB0077614, AX8027324, DB-012681, ST2403286, TC-061335, FT-0687263, A-8708, A805156, S14-2860, 1-N-Boc-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 3,4-dihydro-2h-quinoline-1,2-dicarboxylic acid 1-tert-butyl ester, 1-[(tert-butoxy)carbonyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid, 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid, C15H19NO4, 1187931-75-4, (R)-1-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID, (s)-1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, 1187933-14-7, 1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinoline-2-carboxylicacid,

Complexity	388
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.131g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	277.32g/mol
Monoisotopic Mass	277.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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