AG001TEE

162752-17-2 | 1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-

AG001TEE

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CAS Number	162752-17-2
Catalog Number	AG001TEE(AGN-PC-01VJ2X)
Chemical Name	1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-
IUPAC Name	6-tert-butyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C13H16O/c1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10/h4,6,8H,5,7H2,1-3H3
InChI Key	VICFYSNYODVXCU-UHFFFAOYSA-N
MDL Number	MFCD11590864
Molecular Formula	C13H16O
Molecular Weight	188.2655
SMILES	O=C1CCC2=C1C=C(C(C)(C)C)C=C2
Synonyms	162752-17-2, 6-(tert-Butyl)-2,3-dihydro-1H-inden-1-one, 6-tert-Butyl-1-indanone, 6-t-butyl-1-indanone, 1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-, 6-tert-Butylindan-1-one, AMOT0658, SCHEMBL6207175, VICFYSNYODVXCU-UHFFFAOYSA-N, ZINC19727010, AKOS010641398, AJ-74486, AS-49486, 6-tert-butyl-2,3-dihydro-1H-inden-1-one, CS-0059179, ST24045075, 1H-?Inden-?1-?one, 6-?(1,?1-?dimethylethyl)?-?2,?3-?dihydro-, ACN-030681,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.12g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.27g/mol
Monoisotopic Mass	188.12g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number