AG00DH10

4491-33-2 | Ethyl quinoline-2-carboxylate

AG00DH10

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CAS Number	4491-33-2
Catalog Number	AG00DH10(AGN-PC-0JR11B)
Chemical Name	Ethyl quinoline-2-carboxylate
IUPAC Name	ethyl quinoline-2-carboxylate
InChI	InChI=1S/C12H11NO2/c1-2-15-12(14)11-8-7-9-5-3-4-6-10(9)13-11/h3-8H,2H2,1H3
InChI Key	PWOYTBYNBYNZCO-UHFFFAOYSA-N
MDL Number	MFCD02149441
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
SMILES	CCOC(=O)C1=NC2=C(C=CC=C2)C=C1
Synonyms	ethyl quinoline-2-carboxylate, 4491-33-2, 2-quinolinecarboxylic acid ethyl ester, 2-Quinolinecarboxylic acid, ethyl ester, ethyl quinaldate, AC1L9LFZ, SCHEMBL431290, KS-00000IDG, DTXSID30329610, PWOYTBYNBYNZCO-UHFFFAOYSA-N, ACN-S004998, ACT10336, BCP23837, ZERO/005792, ZINC1723446, ANW-75102, MFCD02149441, SBB013680, STK523945, AKOS005454605, MCULE-1990589175, RP04309, Quinoline-2-carboxylic acid ethyl ester, AJ-31053, AK-99966, DS-17772, SY034371, ST4128427, TC-163847, CS-0037461, FT-0737658, ST24030694, Y9139, MFCD02149441 (95%), J-521282, C12H11NO2, ETHYLQUINOLINE-2-CARBOXYLATE, CID421739, NSC138309,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.225g/mol
Monoisotopic Mass	201.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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