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148101-03-5 | Benzene, 1,2,4,5-tetramethyl-3-(2-phenylethynyl)-
CAS No: 148101-03-5 Catalog No: AG001FFY MDL No:
Product Description
Catalog Number:
AG001FFY
Chemical Name:
Benzene, 1,2,4,5-tetramethyl-3-(2-phenylethynyl)-
CAS Number:
148101-03-5
Molecular Formula:
C18H18
Molecular Weight:
234.3355
IUPAC Name:
1,2,4,5-tetramethyl-3-(2-phenylethynyl)benzene
InChI:
InChI=1S/C18H18/c1-13-12-14(2)16(4)18(15(13)3)11-10-17-8-6-5-7-9-17/h5-9,12H,1-4H3
InChI Key:
WCQMSEHUKUGJFM-UHFFFAOYSA-N
SMILES:
Cc1c(C)cc(c(c1C#Cc1ccccc1)C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.342g/mol
Monoisotopic Mass:
234.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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