AG00DFXY

4600-86-6 | 5-TERT-BUTYL-2,3-DIHYDROINDEN-1-ONE

AG00DFXY

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CAS Number	4600-86-6
Catalog Number	AG00DFXY(AGN-PC-0NEQ6F)
Chemical Name	5-TERT-BUTYL-2,3-DIHYDROINDEN-1-ONE
EC Number	610-279-6
IUPAC Name	5-tert-butyl-2,3-dihydroinden-1-one
InChI	InChI=1S/C13H16O/c1-13(2,3)10-5-6-11-9(8-10)4-7-12(11)14/h5-6,8H,4,7H2,1-3H3
InChI Key	IIJPVOVAVTZFRH-UHFFFAOYSA-N
MDL Number	MFCD09033195
Molecular Formula	C13H16O
Molecular Weight	188.2655
SMILES	O=C1CCC2=C1C=CC(C(C)(C)C)=C2
Synonyms	5-tert-butyl-2,3-dihydroinden-1-one, 4600-86-6, 5-(tert-Butyl)-2,3-dihydro-1H-inden-1-one, 5-TERT-BUTYL-1-INDANONE, 5-tert-butyl-indan-1-one, SCHEMBL85043, CTK4I9077, DTXSID80452543, IIJPVOVAVTZFRH-UHFFFAOYSA-N, FCH864539, MFCD09033195, ZINC22001941, AKOS006330017, RP03616, AJ-80161, DA-17021, 5-tert-butyl-2,3-dihydro-1H-inden-1-one, AX8107403, TC-066185, FT-0659724, Y9157, 600B866, A826959, I14-5058, I14-6725, J-517948, C13H16O, CID11030576,

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-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number