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127653-16-1 | Benzaldehyde, 4,4'-(1,3-butadiyne-1,4-diyl)bis-
CAS No: 127653-16-1 Catalog No: AG000X8N MDL No:
Product Description
Catalog Number:
AG000X8N
Chemical Name:
Benzaldehyde, 4,4'-(1,3-butadiyne-1,4-diyl)bis-
CAS Number:
127653-16-1
Molecular Formula:
C18H10O2
Molecular Weight:
258.2708
IUPAC Name:
4-[4-(4-formylphenyl)buta-1,3-diynyl]benzaldehyde
InChI:
InChI=1S/C18H10O2/c19-13-17-9-5-15(6-10-17)3-1-2-4-16-7-11-18(14-20)12-8-16/h5-14H
InChI Key:
FKXMXNDETYDIBZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#CC#Cc1ccc(cc1)C=O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.276g/mol
Monoisotopic Mass:
258.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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