AG0009YV

113880-79-8 | 2,5,6,7-TETRAHYDRO-ISOINDOL-4-ONE

AG0009YV

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CAS Number	113880-79-8
Catalog Number	AG0009YV(AGN-PC-05W5IS)
Chemical Name	2,5,6,7-TETRAHYDRO-ISOINDOL-4-ONE
IUPAC Name	2,5,6,7-tetrahydroisoindol-4-one
InChI	InChI=1S/C8H9NO/c10-8-3-1-2-6-4-9-5-7(6)8/h4-5,9H,1-3H2
InChI Key	KFLNDCIGSSBKBA-UHFFFAOYSA-N
MDL Number	MFCD05664034
Molecular Formula	C8H9NO
Molecular Weight	135.1632
SMILES	O=C1C2C(=CNC=2)CCC1
Synonyms	113880-79-8, 2,5,6,7-Tetrahydro-isoindol-4-one, 6,7-Dihydro-2H-isoindol-4(5H)-one, 4,5,6,7-tetrahydro-2H-isoindol-4-one, 2,5,6,7-TETRAHYDRO-4H-ISOINDOL-4-ONE, 4H-Isoindol-4-one,2,5,6,7-tetrahydro-, 4H-ISOINDOL-4-ONE, 2,5,6,7-TETRAHYDRO-, 2,5,6,7-Tetrahydroisoindol-4-one, ACMC-1C9HY, SCHEMBL17911291, CTK4A8499, DTXSID50654279, ZINC2548012, 2339AA, 4-oxo-4,5,6,7-tetrahydroisoindole, MFCD05664034, AKOS002658239, AB22251, NE63446, AJ-39486, AS-30967, 2,5,6,7-Tetrahydro-4H-isoindole-4-one, AB0047203, DB-060566, 4CH-005727, FT-0691446, T57294, S14-2789, C8H9NO,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	135.166g/mol
Monoisotopic Mass	135.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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