AG00H32F

935269-27-5 | 3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid

AG00H32F

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CAS Number	935269-27-5
Catalog Number	AG00H32F(AGN-PC-0WAHTJ)
Chemical Name	3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
IUPAC Name	3-oxo-1,2-dihydroisoindole-4-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-8-7-5(4-10-8)2-1-3-6(7)9(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	SONYZPKBPBFLSS-UHFFFAOYSA-N
MDL Number	MFCD25965985
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	O=C(C1=CC=CC(CN2)=C1C2=O)O
Synonyms	3-oxoisoindoline-4-carboxylic acid, 935269-27-5, 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID, CHEMBL505379, 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-, SCHEMBL5338831, CTK8B7220, DTXSID60659558, SONYZPKBPBFLSS-UHFFFAOYSA-N, 3-Oxo-4-isoindolinecarboxylic acid, ZX-RL002076, 5877AC, ANW-56758, BDBM50264659, FCH890919, MFCD11506114, ZINC40834475, AKOS006323136, DS-3664, OR305297, SY235534, AJ-103757, DB-079603, TC-145503, CS-0062203, FT-0712220, ST24022972, MFCD11506114 (95%), L-1815, C9H7NO3, 3-Oxoisoindoline-4-carboxylicacid, AK101028,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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