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162752-17-2 | 1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-
CAS No: 162752-17-2 Catalog No: AG001TEE MDL No:MFCD11590864
Product Description
Catalog Number:
AG001TEE
Chemical Name:
1H-Inden-1-one, 6-(1,1-dimethylethyl)-2,3-dihydro-
CAS Number:
162752-17-2
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD11590864
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
SMILES:
O=C1CCc2c1cc(cc2)C(C)(C)C
Properties
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
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