AG000VNL

131172-64-0 | 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-

AG000VNL

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CAS Number	131172-64-0
Catalog Number	AG000VNL(AGN-PC-0JW809)
Chemical Name	1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-
IUPAC Name	4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H11NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h5,10H,1-4H2,(H,11,12)
InChI Key	NYZDHGPFNPXPCM-UHFFFAOYSA-N
MDL Number	MFCD01101168
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	C1CCC2=C(C1)C=C(C(=O)O)N2
Synonyms	4,5,6,7-Tetrahydro-1H-indole-2-carboxylic acid, 131172-64-0, BAS 01184239, CHEMBL2324851, 1H-Indole-2-carboxylicacid, 4,5,6,7-tetrahydro-, 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-, AC1LGMCN, ACMC-20ez8k, Oprea1_235869, Oprea1_526320, SCHEMBL1423043, SCHEMBL3052213, CTK0H0090, DTXSID60354450, NYZDHGPFNPXPCM-UHFFFAOYSA-N, HMS1700F07, ZINC4893016, 3644AD, BDBM50427216, MFCD01101168, AKOS000600232, MCULE-7183035703, AJ-52526, AS-45002, TR-004253, BB 0237576, FT-0677045, ST50247992, Z-2127, 4,5,6,7-TETRAHYDROINDOLE-2-CARBOXYLIC ACID, I04-3479, Z1166114418, 4,5,6,7-Tetrahydro-1H-indole-2-carboxylic acid, AldrichCPR, Indole-2-carboxylic acid, C9H11NO2, CID773806, 1477-50-5,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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