AG002N2G

23386-41-6 | 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-

AG002N2G

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CAS Number	23386-41-6
Catalog Number	AG002N2G(AGN-PC-03I9IK)
Chemical Name	1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-
IUPAC Name	3-oxo-1,2-dihydroisoindole-5-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-8-7-3-5(9(12)13)1-2-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	VJAXCBJUBWJIRY-UHFFFAOYSA-N
MDL Number	MFCD09701284
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	OC(=O)C1=CC2=C(CNC2=O)C=C1
Synonyms	3-Oxoisoindoline-5-carboxylic acid, 23386-41-6, 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID, 3-oxo-5-isoindolinecarboxylic acid, 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-3-oxo-, 3-oxo-1,2-dihydroisoindole-5-carboxylic acid, SCHEMBL5879567, CTK8B7385, DTXSID60620743, ZX-RL002046, 1549AB, ANW-57159, FCH868987, MFCD09701284, ZINC80442962, 5-Isoindolinecarboxylic acid, 3-oxo-, AKOS006331654, RL02736, AK-65805, AS-55123, OR305293, SC-34620, AJ-123892, AX8206204, TC-145904, FT-0707272, ST24028610, L-1812, 2,3-Dihydro-3-oxo-1H-isoindole-5-carboxylic acid, J-513018, C9H7NO3,

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	0.3

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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