AG00GDPG

82717-40-6 | 1H-Indole-2-carboxylicacid,octahydro-(9CI)

AG00GDPG

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CAS Number	82717-40-6
Catalog Number	AG00GDPG(AGN-PC-00KQNN)
Chemical Name	1H-Indole-2-carboxylicacid,octahydro-(9CI)
EC Number	600-874-9
IUPAC Name	2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)
InChI Key	CQYBNXGHMBNGCG-UHFFFAOYSA-N
MDL Number	MFCD00171406
Molecular Formula	C9H15NO2
Molecular Weight	169.2209
SMILES	N2C1CCCCC1CC2C(=O)O
Synonyms	octahydro-1H-indole-2-carboxylic acid, 82717-40-6, 80828-13-3, Octahydro-indole-2-carboxylic acid, 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic Acid, L-Octahydroindole-2-carboxylic acid, 108507-42-2, MFCD00171406, PubChem7288, ACMC-209pkh, ACMC-20mbk0, ACMC-20n4kb, ACMC-20n4kc, ACMC-20n4kd, ACMC-20n4ke, AC1MN9PU, AC1Q74ED, 1H-Indole-2-carboxylicacid, octahydro-, (2R,3aR,7aR)-, 1H-Indole-2-carboxylicacid, octahydro-, (2R,3aS,7aR)-, 1H-Indole-2-carboxylicacid, octahydro-, (2R,3aS,7aS)-, 1H-Indole-2-carboxylicacid, octahydro-, (2S,3aS,7aR)-, SCHEMBL44497, 2-perhydroindolecarboxylic acid, CS-WAA0106, perhydroindole-2-carboxylic acid, KS-00000MTG, CQYBNXGHMBNGCG-UHFFFAOYSA-N, L-Octahydroindole-2-carboxylicacid, 145513-90-2, ACN-S002174, ACN-S002673, ANW-75254, CO-001, SBB066619, STL301689, AKOS000121044, AKOS016042479, AC-1242, AN-5413, DS-0910, FS-3070, MCULE-7004970623, RP02602, TRA0009217, VI30099, D-Octahydroindole-2-carboxylic acid-HCl, AK-36434, AN-10228, AN-15077, AN-15134, BC205019, BR-36434, M788, SC-25309, SY021277, AB0015387, DB-056464, ST2419760, TR-025497, 1H-Indole-2-carboxylicacid,octahydro-(9CI), 4CH-014957, A9970, CS-0035056, FT-0602575, Octahydro-1H-indole-2-carboxylic acid HCl, 7-azabicyclo[4.3.0]nonane-8-carboxylic acid, EN300-54024, O57069, S-2062, MFCD07782125 (97+%), A808370, A839984, I10-0025, I10-0026, I10-0054, I10-0068, I10-0105, Z234893909, 1004292-98-1, Octahydroindole-2-Carboxylic Acid, C9H15NO2, (2S)-Octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, 80875-98-5, CID3274680, (2R)-Octahydro-1H-indole-2-carboxylic acid, (2S,3AS,7AS)-2-Carboxyoctahydroindole, (2S,3aR,7aS)-Octahydroindole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, octahydro- (9CI), (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid, (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid, 145438-94-4, 1H-Indole-2-carboxylicacid, octahydro-, (2S,3aR,7aR)-, 186194-75-2, 145513-91-3, 145513-92-4, 145513-93-5,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.224g/mol
Monoisotopic Mass	169.11g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	-1

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

Lot Number