AG003MS9

21598-06-1 | 5-Hydroxy-1H-indole-2-carboxylic acid

AG003MS9

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CAS Number	21598-06-1
Catalog Number	AG003MS9(AGN-PC-0JLXRM)
Chemical Name	5-Hydroxy-1H-indole-2-carboxylic acid
EC Number	244-468-6
IUPAC Name	5-hydroxy-1H-indole-2-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13)
InChI Key	BIMHWDJKNOMNLD-UHFFFAOYSA-N
MDL Number	MFCD00005615
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
NSC Number	117338
SMILES	O=C(C(N1)=CC2=C1C=CC(O)=C2)O
Synonyms	21598-06-1, 5-Hydroxyindole-2-carboxylic acid, 5-Hydroxy-1H-indole-2-carboxylic acid, 5-Hydroxy-2-indolecarboxylic acid, BIMHWDJKNOMNLD-UHFFFAOYSA-N, MFCD00005615, H-6300, H-6310, 5-Hydroxy-2-indolecarboxylic acid, 98%, 5-Hydroxyindole-2-carboxylicacid, NSC117338, zlchem 754, PubChem1716, AC1L3GUD, ACMC-20am33, AC1Q5UQ2, Oprea1_412252, SCHEMBL61386, cid_88958, CHEMBL1368373, BDBM41958, CTK1A6733, DTXSID50175959, ZLD0211, ZINC155676, 5-hydroxy-indole-2-carboxylic acid, 5-Hydroxyindole -2-carboxylic acid, ACT06073, EBD32027, KS-000018CN, EINECS 244-468-6, CH-040, SBB069252, STK530105, 5-Hydroxy-1H-2-indolecarboxylic acid, AKOS002664591, Indole-2-carboxylic acid, 5-hydroxy-, AN-3189, FCH1114989, GS-6045, MCULE-1314297483, NSC-117338, QC-9173, RD-0122, TRA0031388, VI30292, 5-oxidanyl-1H-indole-2-carboxylic acid, ACM21598061, 1H-Indole-2-carboxylicacid, 5-hydroxy-, 5-Hydroxyindole-2-carboxylic acid, 98%, AC-22683, AJ-13611, AK-61688, CC-21862, N734, SC-65534, 1H-Indole-2-carboxylic acid, 5-hydroxy-, 5-Hydroxy-1H-indole-2-carboxylic acid #, AB0016005, AB1003481, AX8007480, DB-012185, RT-002047, TL8001793, A4642, FT-0620487, ST50406565, 5-Hydroxyindole-2-carboxylic acid hemihydrate, 598H061, C-06257, S10-0009, F1920-0039, 45542C1F-1243-4363-9F29-ED2B251C6D36, null, C9H7NO3, CID88958, AR-1G8411, 104903-23-3, 15307-81-0, 22134-63-0,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.043g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	73.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

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