AG00GSFN

933752-32-0 | 1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid

AG00GSFN

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CAS Number	933752-32-0
Catalog Number	AG00GSFN(AGN-PC-03H8BM)
Chemical Name	1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid
IUPAC Name	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
InChI	InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChI Key	QEMYLDYQDFRTRT-UHFFFAOYSA-N
MDL Number	MFCD09027511
Molecular Formula	C10H11NO2
Molecular Weight	177.1998
SMILES	OC(=O)C1=CC2=C(CNCC2)C=C1
Synonyms	1,2,3,4-Tetrahydroisoquinoline-6-carboxylic acid, 933752-32-0, 1,2,3,4-Tetrahydro-isoquinoline-6-carboxylic acid, 1,2,3,4-Tetrahydro-6-isoquinolinecarboxylic acid, 6-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, SCHEMBL1026101, DTXSID50619469, ACT10630, 5831AC, ANW-57715, CT-002, MFCD09027511, ZINC16698348, AKOS006287843, ACN-001740, RTR-001347, KS-00001A19, AJ-69512, AM804567, AS-38465, DA-17391, SY100958, DB-029309, CS-0038124, FT-0757957, MFCD09027511 (95%), T67417, X-2166, 1,2,3,4-tetrahydroisoquinolin-2-ium-6-carboxylate, I14-11583, 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, AldrichCPR, HKY, C10H11NO2, 185057-00-5,

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	-1.4

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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