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848615-45-2 | 1H-Inden-1-one, 2-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-phenyl-
CAS No: 848615-45-2 Catalog No: AG004QNE MDL No:
Product Description
Catalog Number:
AG004QNE
Chemical Name:
1H-Inden-1-one, 2-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-phenyl-
CAS Number:
848615-45-2
Molecular Formula:
C26H24O
Molecular Weight:
352.4682
IUPAC Name:
2-[(4-tert-butylphenyl)methyl]-3-phenylinden-1-one
InChI:
InChI=1S/C26H24O/c1-26(2,3)20-15-13-18(14-16-20)17-23-24(19-9-5-4-6-10-19)21-11-7-8-12-22(21)25(23)27/h4-16H,17H2,1-3H3
InChI Key:
HKXRXCMLRUIXMV-UHFFFAOYSA-N
SMILES:
O=C1C(=C(c2c1cccc2)c1ccccc1)Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.183g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.477g/mol
Monoisotopic Mass:
352.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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