AG0027CP

179898-00-1 | 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester

AG0027CP

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CAS Number	179898-00-1
Catalog Number	AG0027CP(AGN-PC-0434FC)
Chemical Name	1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 4-oxo-2,3-dihydroquinoline-1-carboxylate
InChI	InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-9-8-12(16)10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3
InChI Key	UIFOUBFGWSHWLM-UHFFFAOYSA-N
MDL Number	MFCD10697721
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
SMILES	O=C(N1CCC(C2=C1C=CC=C2)=O)OC(C)(C)C
Synonyms	179898-00-1, TERT-BUTYL 4-OXO-3,4-DIHYDROQUINOLINE-1(2H)-CARBOXYLATE, N-BOC-3,4-DIHYDROQUINOLINE-4(2H)-ONE, 4-OXO-3,4-DIHYDRO-2H-QUINOLINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, TERT-BUTYL 4-OXO-2,3-DIHYDROQUINOLINE-1-CARBOXYLATE, SCHEMBL641007, CTK7G2720, DTXSID60634022, UIFOUBFGWSHWLM-UHFFFAOYSA-N, KS-00000C4T, MFCD10697721, ZINC70601192, AKOS013634526, AB60330, TRA-0175714, AC-30508, AS-47212, CJ-21391, SY019792, AJ-117380, DB-065300, TC-308680, CS-0035613, FT-0732060, V3887, Z-6299, MFCD10697721 (95+%), A1-00055, 1-tert butyloxycarbonyl-1,2,3,4-tetrahydro-4-quinolone, 1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-4-quinolone, 1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro4-quinolone, N-t-butoxycarbonyl-1,2,3,4-tetrahydro-quinolin-4-one, 1-tert-butyloxycarbonyl 1,2,3,4-tetrahydro-4-quinolinone, 1-tert-butyloxycarbonyl-1,2,3,4,-tetrahydro-4-quinolone, 1-tert-butyloxycarbonyl-1,2,3,4-tetrahydro-4-quinolinone, TERT-BUTYL 4-OXO-1,2,3,4-TETRAHYDROQUINOLINE-1-CARBOXYLATE, 4-Oxo-1,2,3,4-tetrahydroquinoline-1-carboxylic acid tert-butyl ester, tert-Butyl 4-oxo-3,4-dihydro-1(2H)-quinolinecarboxylate, AldrichCPR, 1(2H)-Quinolinecarboxylic acid, 3,4-dihydro-4-oxo-, 1,1-dimethylethyl ester, C14H17NO3, 1070-83-3,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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