AG00D8XW

53951-84-1 | Methyl quinoline-3-carboxylate

AG00D8XW

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CAS Number	53951-84-1
Catalog Number	AG00D8XW(AGN-PC-0JNUGR)
Chemical Name	Methyl quinoline-3-carboxylate
IUPAC Name	methyl quinoline-3-carboxylate
InChI	InChI=1S/C11H9NO2/c1-14-11(13)9-6-8-4-2-3-5-10(8)12-7-9/h2-7H,1H3
InChI Key	CWRATHCADZOYAT-UHFFFAOYSA-N
MDL Number	MFCD03550859
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
NSC Number	86584
SMILES	O=C(C1=CC2=CC=CC=C2N=C1)OC
Synonyms	methyl quinoline-3-carboxylate, 53951-84-1, Quinoline-3-carboxylic acid methyl ester, AC1L5XWM, AC1Q5Z6H, NCIOpen2_001105, methyl 3-quinolinecarboxylate, CHEMBL12092, SCHEMBL2031896, CTK4J9072, DTXSID80292961, CWRATHCADZOYAT-UHFFFAOYSA-N, ZINC157413, KS-00000GN4, NSC86584, MFCD03550859, NSC-86584, SBB053992, AKOS005169883, 3-Quinolinecarboxylic acid methyl ester, 3-Quinolinecarboxylicacid, methyl ester, MCULE-7004624767, MP-2010, AJ-15013, AK130436, SC-65864, TS-02631, AB0069435, 4CH-007505, AM20061295, ST24031206, ST50949765, Z4848, Z1698585541, Methylquinoline-3-carboxylate, C11H9NO2, AR-1J6158, CID257955, 3-Quinolinecarboxylic acid, methyl ester, 5408-74-2,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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