AG004UPY

845655-53-0 | 6-Methyl-2-oxoindoline-3-carbaldehyde

AG004UPY

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CAS Number	845655-53-0
Catalog Number	AG004UPY(AGN-PC-05CAPY)
Chemical Name	6-Methyl-2-oxoindoline-3-carbaldehyde
IUPAC Name	6-methyl-2-oxo-1,3-dihydroindole-3-carbaldehyde
InChI	InChI=1S/C10H9NO2/c1-6-2-3-7-8(5-12)10(13)11-9(7)4-6/h2-5,8H,1H3,(H,11,13)
InChI Key	DMGZZKBQJHNTBD-UHFFFAOYSA-N
MDL Number	MFCD09971851
Molecular Formula	C10H9NO2
Molecular Weight	175.1840
SMILES	O=CC1C(NC2=C1C=CC(C)=C2)=O
Synonyms	6-Methyl-2-oxoindoline-3-carbaldehyde, 845655-53-0, AK113054, 6-Methyl-2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde, 2,3-DIHYDRO-6-METHYL-2-OXO-1H-INDOLE-3-CARBOXALDEHYDE, CTK5F2657, DTXSID70673806, 2996AC, FCH878939, MFCD09971851, AKOS006313520, DS-6080, QC-9927, AC-29366, AB0070481, AX8193083, TR-050627, 4CH-001968, AM20120555, BB 0262280, ST24045482, S-7873, 6-methyl-2-oxo-1,3-dihydroindole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 2,3-dihydro-6-methyl-2-oxo-, C10H9NO2,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.187g/mol
Monoisotopic Mass	175.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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