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87639-15-4 | Benzene, 1-methyl-4-[1-(2-phenylethenyl)-3-butynyl]-
CAS No: 87639-15-4 Catalog No: AG004LDV MDL No:
Product Description
Catalog Number:
AG004LDV
Chemical Name:
Benzene, 1-methyl-4-[1-(2-phenylethenyl)-3-butynyl]-
CAS Number:
87639-15-4
Molecular Formula:
C19H18
Molecular Weight:
246.3462
IUPAC Name:
1-methyl-4-(1-phenylhex-1-en-5-yn-3-yl)benzene
InChI:
InChI=1S/C19H18/c1-3-7-18(19-13-10-16(2)11-14-19)15-12-17-8-5-4-6-9-17/h1,4-6,8-15,18H,7H2,2H3
InChI Key:
JFRFHPNYIBSVKM-UHFFFAOYSA-N
SMILES:
C#CCC(c1ccc(cc1)C)C=Cc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.353g/mol
Monoisotopic Mass:
246.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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