AG002N2H

23386-40-5 | 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-

AG002N2H

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CAS Number	23386-40-5
Catalog Number	AG002N2H(AGN-PC-0H9T1T)
Chemical Name	1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-
IUPAC Name	1-oxo-2,3-dihydroisoindole-5-carboxylic acid
InChI	InChI=1S/C9H7NO3/c11-8-7-2-1-5(9(12)13)3-6(7)4-10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChI Key	OLKKGIPWCIURHH-UHFFFAOYSA-N
MDL Number	MFCD13177824
Molecular Formula	C9H7NO3
Molecular Weight	177.1568
SMILES	O=C(C1=CC2=C(C(NC2)=O)C=C1)O
Synonyms	1-Oxoisoindoline-5-carboxylic acid, 23386-40-5, 1-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-, SCHEMBL14332678, CTK8B7219, KS-00002BIE, DTXSID00511444, OLKKGIPWCIURHH-UHFFFAOYSA-N, ZX-RL002024, 1548AB, ANW-56757, MFCD13177824, ZINC66346274, AKOS015899115, AM86101, FCH1165571, QC-8314, RL02735, SS-6038, OR305285, SY033907, AB0097204, AJ-116347, TC-145502, FT-0712867, ST24021365, MFCD13177824 (95%), J-505045, I14-12290, C9H7NO3, L-1806,

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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