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189331-74-6 | Benzene, 1,1'-(1Z)-1-buten-3-yne-1,4-diylbis[4-methyl-
CAS No: 189331-74-6 Catalog No: AG002IB9 MDL No:
Product Description
Catalog Number:
AG002IB9
Chemical Name:
Benzene, 1,1'-(1Z)-1-buten-3-yne-1,4-diylbis[4-methyl-
CAS Number:
189331-74-6
Molecular Formula:
C18H16
Molecular Weight:
232.3196
IUPAC Name:
1-methyl-4-[4-(4-methylphenyl)but-1-en-3-ynyl]benzene
InChI:
InChI=1S/C18H16/c1-15-7-11-17(12-8-15)5-3-4-6-18-13-9-16(2)10-14-18/h3,5,7-14H,1-2H3
InChI Key:
MWNJNLSZECQSLS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)/C=C\C#Cc1ccc(cc1)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.326g/mol
Monoisotopic Mass:
232.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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