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827605-90-3 | Benzene, 1,1'-[1-[(3-methyl-2-butenyl)oxy]-2-propynylidene]bis-
CAS No: 827605-90-3 Catalog No: AG0056ZY MDL No:
Product Description
Catalog Number:
AG0056ZY
Chemical Name:
Benzene, 1,1'-[1-[(3-methyl-2-butenyl)oxy]-2-propynylidene]bis-
CAS Number:
827605-90-3
Molecular Formula:
C20H20O
Molecular Weight:
276.3722
IUPAC Name:
[1-(3-methylbut-2-enoxy)-1-phenylprop-2-ynyl]benzene
InChI:
InChI=1S/C20H20O/c1-4-20(21-16-15-17(2)3,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h1,5-15H,16H2,2-3H3
InChI Key:
PCFRGMJORAJQCE-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1)(c1ccccc1)OCC=C(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.151g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.379g/mol
Monoisotopic Mass:
276.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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