AG00350Y

1670-82-2 | Indole-6-carboxylic acid

AG00350Y

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CAS Number	1670-82-2
Catalog Number	AG00350Y(AGN-PC-0JTHNH)
Chemical Name	Indole-6-carboxylic acid
EC Number	605-464-3
IUPAC Name	1H-indole-6-carboxylic acid
InChI	InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12)
InChI Key	GHTDODSYDCPOCW-UHFFFAOYSA-N
MDL Number	MFCD00210441
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C(O)c1ccc2cc[nH]c2(c1)
Synonyms	Indole-6-carboxylic acid, 1H-Indole-6-carboxylic acid, 1670-82-2, 6-Indolecarboxylic acid, 6-carboxyindole, MFCD00210441, GHTDODSYDCPOCW-UHFFFAOYSA-N, 261352-47-0, MLS000039633, 1F1, PubChem1695, 6-carboxy-1H-indole, 4ej8, Indole-6-carboxylicacid, indol-6-carboxylic acid, 6-indole carboxylic acid, AC1LC6JR, indole 6-carboxylic acid, Maybridge4_003509, ACMC-1CA9K, Oprea1_870961, SCHEMBL50542, KSC181S6F, AC1Q73S9, Jsp003371, 1H-indole-6-carbonsäure, 1H-Indole-6-carboxylic acid #, CHEMBL1229732, CTK0I1962, Indole-6-carboxylic acid, 97%, ZINC58267, HMS1530P11, HMS2158J13, HMS3308H18, Indole-6-carboxylic acid, 98+%, ACN-S002681, ACN-S004118, ACT02577, ALBB-006287, BCP26387, KS-00000CF7, ANW-22254, BBL001441, CI-041, SBB000134, STK503806, AKOS000264713, AC-3144, CS-W016136, FS-1724, LS20931, MCULE-3670701433, PB12137, RP02165, RTR-007232, SB10578, TRA0058989, NCGC00068410-02, AJ-09863, AK-25192, AN-13246, BR-25192, SC-01581, SMR000037044, SY004025, AB0012051, AB1000012, DB-003038, ST2408919, TL8001287, TR-007232, 4CH-015560, AM20030118, FT-0084543, FT-0627226, FT-0655544, FT-0723541, I0663, ST50331818, EN300-39568, MFCD00210441 (98%), B-2285, I-2350, 670I822, I10-0071, I10-0340, BRD-K90468391-001-01-0, F2158-0225, Z1217910492, 1H-INDOLE-6-CARBOXYLICACID, RADICAL ION(1+) (9CI), null, Vargatef, C9H7NO2, CID595230, ACN-037766, Indole-6-carboxylic acid, 98% - 1G 1g, A15287, 6-Indolecarboxylic acid;Indole-6-carboxylic acid, 1160294-26-7,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number