AG00637H

67266-14-2 | 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

AG00637H

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CAS Number	67266-14-2
Catalog Number	AG00637H(AGN-PC-0TNPNJ)
Chemical Name	2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
IUPAC Name	2-(3-oxo-1H-isoindol-2-yl)propanoic acid
InChI	InChI=1S/C11H11NO3/c1-7(11(14)15)12-6-8-4-2-3-5-9(8)10(12)13/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key	XBPWPQBDGZFHQI-UHFFFAOYSA-N
MDL Number	MFCD00664643
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	CC(C(O)=O)N1C(=O)C2=C(C=CC=C2)C1
Synonyms	67266-14-2, 2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, 2-(1-oxoisoindolin-2-yl)propanoic acid, 2-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)-propanoic acid, 2-(3-oxo-1H-isoindol-2-yl)propanoic acid, MLS-0315756.0001, 180923-78-8, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, (2R)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, (2S)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid, 298700-67-1, Bionet2_000988, AC1MC9PF, AC1Q2BEP, Oprea1_673439, SCHEMBL2013546, CHEMBL1611947, BDBM43782, cid_2764373, CTK5C5945, DTXSID60377422, XBPWPQBDGZFHQI-UHFFFAOYSA-N, HMS1366M20, KS-000020FL, BBL009858, MFCD00664643, SBB093473, STK915723, AKOS002846338, AKOS016143003, CCG-202961, MCULE-9506470979, RP11943, 2-(1-ketoisoindolin-2-yl)propionic acid, 2-(1-oxo-3H-isoindol-2-yl)propanoic acid, TR-022619, FT-0680645, 8L-017, Y-9520, 2-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid, A1-03874, I04-5681, J-505400, 2-(1-Oxo-1,3-dihydro-isoindol-2-yl)-propionic acid, 2,3-dihydro-1-oxo-1H-isoindole-2-(alpha-methyl)acetic acid, 2- propanoicacid, CID2764373, (S)-2-(1-oxoisoindolin-2-yl)propanoic acid,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

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