AG00DKEK

56008-20-9 | 3,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one

AG00DKEK

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CAS Number	56008-20-9
Catalog Number	AG00DKEK(AGN-PC-04RZNG)
Chemical Name	3,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one
IUPAC Name	3,6,6-trimethyl-5,7-dihydro-1H-indol-4-one
InChI	InChI=1S/C11H15NO/c1-7-6-12-8-4-11(2,3)5-9(13)10(7)8/h6,12H,4-5H2,1-3H3
InChI Key	REGIWYJKSKEPMU-UHFFFAOYSA-N
MDL Number	MFCD08060464
Molecular Formula	C11H15NO
Molecular Weight	177.2429
SMILES	CC1=CNC2=C1C(=O)CC(C)(C)C2
Synonyms	3,6,6-trimethyl-6,7-dihydro-1H-indol-4(5H)-one, 56008-20-9, AK103744, 3,6,6-Trimethyl-1,5,6,7-tetrahydro-indol-4-one, 3,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one, SCHEMBL1220108, CTK8C0333, KS-00000QDQ, DTXSID10647581, REGIWYJKSKEPMU-UHFFFAOYSA-N, 8182AB, ANW-64519, FCH858091, MFCD08060464, ZINC77050231, AKOS006285957, DS-4177, AJ-122607, AX8235283, ST2404653, TC-070036, 4CH-017349, FT-0736241, 3,6,6-Trimethyl-1,5,6,7-tetrahydro-indo1-4-one, 3,6,6,-trimethyl-1,5,6,7-tetrahydro-indol-4-one, 3,6,6-trimethyl-6,7-dihydro-1H-indole-4(5H)-on, 3,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one, C11H15NO,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.115g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.247g/mol
Monoisotopic Mass	177.115g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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