AG003DA4

5382-49-0 | 1,2,3,4-Tetrahydroquinoline-6-carboxylic acid

AG003DA4

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CAS Number	5382-49-0
Catalog Number	AG003DA4(AGN-PC-0KKZPR)
Chemical Name	1,2,3,4-Tetrahydroquinoline-6-carboxylic acid
IUPAC Name	1,2,3,4-tetrahydroquinoline-6-carboxylic acid
InChI	InChI=1S/C10H11NO2/c12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2,(H,12,13)
InChI Key	ARNALYPZOYPNAF-UHFFFAOYSA-N
MDL Number	MFCD00957087
Molecular Formula	C10H11NO2
Molecular Weight	177.1998
SMILES	OC(=O)C1=CC2=C(NCCC2)C=C1
Synonyms	1,2,3,4-Tetrahydroquinoline-6-carboxylic acid, 5382-49-0, 1,2,3,4-tetrahydro-6-quinolinecarboxylic acid, 1,2,3,4-tetrahydro-quinoline-6-carboxylic acid, 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, Maybridge3_004537, AC1MCW06, AC1Q73UF, Oprea1_120515, SCHEMBL45202, MLS000850631, CHEMBL1507634, KS-00000CDS, DTXSID80381480, ARNALYPZOYPNAF-UHFFFAOYSA-N, HMS1443O05, HMS2797F07, ZINC2571284, 7685AB, ANW-75031, BBL100283, MFCD00957087, SBB089268, STL553850, AKOS009159525, CS-W006431, MCULE-4037870382, IDI1_015924, AJ-41887, AK-28549, AN-13313, DS-11058, SC-27954, SMR000456649, SY003732, AB0065487, AB1001719, DB-052403, TC-163776, TL8003531, FT-0606192, ST24036644, EN300-37427, 1,2,3,4-Tetrahydro-6-quinolinecarboxylicAcid, 1,2,3,4-tetrahydroquinolin-6-carboxylic acid, K-9728, MFCD00957087 (97+%), SR-01000473575, I04-1527, J-503772, SR-01000473575-1, 1,2,3,4-tetrahydro-6-quinolinecarboxylic acid, AldrichCPR, null, C10H11NO2, CID2779641,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.203g/mol
Monoisotopic Mass	177.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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