AG000R0M

1260664-94-5 | 1H-Isoindole-5-carboxaldehyde, 2,3-dihydro-3-oxo-

AG000R0M

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CAS Number	1260664-94-5
Catalog Number	AG000R0M(AGN-PC-0WAGFJ)
Chemical Name	1H-Isoindole-5-carboxaldehyde, 2,3-dihydro-3-oxo-
IUPAC Name	3-oxo-1,2-dihydroisoindole-5-carbaldehyde
InChI	InChI=1S/C9H7NO2/c11-5-6-1-2-7-4-10-9(12)8(7)3-6/h1-3,5H,4H2,(H,10,12)
InChI Key	CLDCSOQPDZYABK-UHFFFAOYSA-N
MDL Number	MFCD18251181
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C1NCC2=CC=C(C=C12)C=O
Synonyms	3-Oxoisoindoline-5-carbaldehyde, 1260664-94-5, 1H-ISOINDOLE-5-CARBOXALDEHYDE, 2,3-DIHYDRO-3-OXO-, 1H-Isoindole-5-carboxaldehyde,2,3-dihydro-3-oxo-, AMBZ0322, CTK8C3127, DTXSID20743705, 4954AA, ANW-69710, MFCD18251181, ZINC82046867, AKOS016001807, AB74383, AM85532, DS-3665, AK101033, DA-13321, AJ-124562, TC-158455, FT-0752632, ST24022973, 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBALDEHYDE, C9H7NO2,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number