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827605-93-6 | Benzene, 1,1'-[1-(2-butynyloxy)-2-propynylidene]bis-
CAS No: 827605-93-6 Catalog No: AG004YSY MDL No:
Product Description
Catalog Number:
AG004YSY
Chemical Name:
Benzene, 1,1'-[1-(2-butynyloxy)-2-propynylidene]bis-
CAS Number:
827605-93-6
Molecular Formula:
C19H16O
Molecular Weight:
260.3297
IUPAC Name:
(1-but-2-ynoxy-1-phenylprop-2-ynyl)benzene
InChI:
InChI=1S/C19H16O/c1-3-5-16-20-19(4-2,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h2,6-15H,16H2,1H3
InChI Key:
JRCUZNRFJBIVBL-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1)(c1ccccc1)OCC#CC
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.336g/mol
Monoisotopic Mass:
260.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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