AG00CMAR

3929-78-0 | 2,2-dimethylindolin-3-one

AG00CMAR

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CAS Number	3929-78-0
Catalog Number	AG00CMAR(AGN-PC-0NJEK1)
Chemical Name	2,2-dimethylindolin-3-one
IUPAC Name	2,2-dimethyl-1H-indol-3-one
InChI	InChI=1S/C10H11NO/c1-10(2)9(12)7-5-3-4-6-8(7)11-10/h3-6,11H,1-2H3
InChI Key	LCOXRUCZJLIHDI-UHFFFAOYSA-N
MDL Number	MFCD16658157
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	CC1(C(=O)C2=C(C=CC=C2)N1)C
Synonyms	2,2-Dimethylindolin-3-one, 3929-78-0, 2,2-dimethyl-2,3-dihydro-1H-indol-3-one, 1,2-Dihydro-2,2-dimethyl-3H-indol-3-one, 2,2-Dimethylindoline-3-one, SCHEMBL13469502, SCHEMBL16170235, MFCD16658157, ZINC39246732, AKOS015898924, 2,2-dimethyl-1,2-dihydro-indol-3-one, I14-12274, Z2678251345,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number