AG00EB0N

6052-68-2 | 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID

AG00EB0N

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CAS Number	6052-68-2
Catalog Number	AG00EB0N(AGN-PC-0JM2Y4)
Chemical Name	2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
IUPAC Name	2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
InChI	InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)
InChI Key	FSNCEEGOMTYXKY-UHFFFAOYSA-N
MDL Number	MFCD00204332
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
NSC Number	96912
SMILES	O=C(C1CC2=C(CN1)NC3=C2C=CC=C3)O
Synonyms	1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid, 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid, (S)-isomer, 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid,(+-)-isomer, 3S-tetrahydro-beta-carboline-3-carboxylic acid, THBC-CA, 6052-68-2, 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid, 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid, CCRIS 6486, NSC 96912, Tetrahydro-beta-carboline-3-carboxylic acid, FSNCEEGOMTYXKY-UHFFFAOYSA-N, L-1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid, 1H-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, 1,2,3,4-tetrahydrobeta-carboline-3-carboxylic acid, Maybridge1_002151, 1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-, ChemDiv1_000471, AC1Q5V3P, AC1Q74CQ, CBDivE_002277, CBDivE_005090, SCHEMBL416558, CHEMBL149177, 2,3,4,9-tetrahydro-1h-|A-carboline-3-carboxylic acid, CHEBI:91151, CTK2F3178, FSNCEEGOMTYXKY-UHFFFAOYSA-, HMS547J17, HMS588F09, .beta.-Carbocine-3-carboxylic acid, AC1L4022, KS-00003O3S, NSC96912, 9029AB, CCG-41295, MFCD00204332, NSC-96912, SBB043313, STK387520, AKOS000273957, AKOS016038051, AM83757, MCULE-3015576416, MS-1161, NE61717, SDCCGMLS-0065883.P001, AK116140, BAS 00554834, SC-11203, ST053495, DB-025745, LS-133456, TC-070778, 3-Carboxy-1,2,3,4-tetrahydro-2-carboline, BB 0218166, CS-0020443, EU-0001445, FT-0705298, 3-Carboxy-1,2,3,4-tetrahydro-beta-carboline, A833692, AF-399/25070003, SR-01000399955, (-)-3-Carboxy-1,2,3,4-tetrahydro-beta-carboline, SR-01000399955-1, SR-01000399955-2, Z56762879, 2,3,4,9-Tetrahydro-1H-A-carboline-3-carboxylic acid, F0037-1026, 1,2,3,4-tetrahydro-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid #, (3RS)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid, 2,3,4,9-TETRAHYDRO-1H-b-CARBOLINE-3-CARBOXYLIC ACID, 1H-Pyrido[3,4-b]indole-3-carboxylicacid, 2,3,4,9-tetrahydro-, InChI=1/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16), CYCLOMETHYLTRYPTOPHAN, beta-Carbocine-3-carboxylic acid, C12H12N2O2, CID98285, AR-1D2045, C12-H12-N2-O2, L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid, D-1,2,3,4-tetrahydronorharmane-3-carboxylic acid, D-1,2,3,4-tetrahydronorharman-3-carboxylic acid, L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid, 42438-90-4, 72002-54-1, (R)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, (S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLICACID, 622-78-6,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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