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Home > Aldehydes > 833486-08-1
833486-08-1 | Benzaldehyde, 4,4'-(1E)-1-buten-3-yne-1,4-diylbis-
CAS No: 833486-08-1 Catalog No: AG004SCN MDL No:
Product Description
Catalog Number:
AG004SCN
Chemical Name:
Benzaldehyde, 4,4'-(1E)-1-buten-3-yne-1,4-diylbis-
CAS Number:
833486-08-1
Molecular Formula:
C18H12O2
Molecular Weight:
260.2867
IUPAC Name:
4-[4-(4-formylphenyl)but-1-en-3-ynyl]benzaldehyde
InChI:
InChI=1S/C18H12O2/c19-13-17-9-5-15(6-10-17)3-1-2-4-16-7-11-18(14-20)12-8-16/h1,3,5-14H
InChI Key:
BQGAPAJARXVHNU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)/C=C/C#Cc1ccc(cc1)C=O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.292g/mol
Monoisotopic Mass:
260.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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