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14635-91-7 | Benzene, 1-methyl-3-(2-phenylethynyl)-
CAS No: 14635-91-7 Catalog No: AG001DXT MDL No:
Product Description
Catalog Number:
AG001DXT
Chemical Name:
Benzene, 1-methyl-3-(2-phenylethynyl)-
CAS Number:
14635-91-7
Molecular Formula:
C15H12
Molecular Weight:
192.2558
IUPAC Name:
1-methyl-3-(2-phenylethynyl)benzene
InChI:
InChI=1S/C15H12/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3
InChI Key:
CREZZKUDBMAYFS-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C#Cc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.261g/mol
Monoisotopic Mass:
192.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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