AG000RYU

1261740-37-7 | 1-Oxoisoindoline-4-carboxylic acid

AG000RYU

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CAS Number	1261740-37-7
Catalog Number	AG000RYU(AGN-PC-0WAGC9)
Chemical Name	1-Oxoisoindoline-4-carboxylic acid
IUPAC Name	1-oxo-2,3-dihydroisoindole-4-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-8-5-2-1-3-6(9(12)13)7(5)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	QDZWVSYHCSDGDX-UHFFFAOYSA-N
MDL Number	MFCD18417299
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	OC(C1=C2C(C(NC2)=O)=CC=C1)=O
Synonyms	1-Oxoisoindoline-4-carboxylic acid, 1261740-37-7, 1-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXYLIC ACID, CTK8C3130, DTXSID70695826, 5060AA, ANW-69713, MFCD18417299, ZINC82046865, AKOS016001779, FCH1168974, OR70147, AS-47328, SC-43647, AJ-124560, DB-062463, TC-158458, FT-0735377, ST24021364, Z-7257, 1H-Isondole-4-carboxylicacid-2,3-dihydro-1-oxo, 2,3-dihydro-1-oxo-1H-Isoindole-4-carboxylic acid, 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-1-oxo-, 1-Oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid, AldrichCPR, C9H7NO3, 1-Oxoisoindoline-4-carboxylicacid,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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