AG00078Z

102359-00-2 | 1H-Indole-5-carboxylic acid, 2,3-dihydro-2-oxo-

AG00078Z

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CAS Number	102359-00-2
Catalog Number	AG00078Z(AGN-PC-0KKVCK)
Chemical Name	1H-Indole-5-carboxylic acid, 2,3-dihydro-2-oxo-
IUPAC Name	2-oxo-1,3-dihydroindole-5-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-8-4-6-3-5(9(12)13)1-2-7(6)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	LLLKBUWXODIMEW-UHFFFAOYSA-N
MDL Number	MFCD03411961
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	O=C1NC2=CC=C(C=C2C1)C(=O)O
Synonyms	5-Carboxyoxindole, 102359-00-2, 2-oxoindoline-5-carboxylic acid, 2-oxo-2,3-dihydro-1H-indole-5-carboxylic acid, 5-Carboxy-2-oxindole, 2-OXINDOLE-5-CARBOXYLIC ACID, 1H-INDOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-OXO-, 2-oxo-1,3-dihydroindole-5-carboxylic Acid, OXINDOLE-5-CARBOXYLIC ACID, MFCD03411961, 5-carboxyoxindol, 2-Oxo-indoline-5-carboxylic acid, PubChem7274, AC1MCMRW, 5-Carboxyindolin-2-one, AC1Q73TW, SCHEMBL688890, 5-carboxyoxindole, AldrichCPR, ACMC-20981l, CTK0I3882, DTXSID10378368, LLLKBUWXODIMEW-UHFFFAOYSA-N, ZINC2529808, ANW-14695, BBL010825, CO-009, SBB066699, STK629645, AKOS000156463, MCULE-6251755500, PB20027, PS-3319, RP03033, RTR-000597, TRA0075409, VI30268, KS-0000038Y, AC-27824, AJ-38438, AK-45719, BC675053, BL003040, SC-00108, SY012329, AB0039369, AB1011626, DB-008455, TR-000597, CS-0046855, FT-0601014, Y6823, EN300-43775, A-4190, 2,3-Dihydro-2-oxo-1H-indole-5-carboxylic acid, MFCD03411961 (95+%), I10-0252, Q-102640, Z815264188, null, 5-METHOXYINDOLE, C9H7NO3, ACN-001640, CID2773318, 2-oxoindoline-5-carboxylic acid, 95% - 1G 1g, 4-Nitro-7-(1-piperazinyl)-2,1,3-benzoxadiazole,

Complexity	251
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	2
Isotope Atom Count	0
Molecular Weight	177.159g/mol
Monoisotopic Mass	177.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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