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823226-90-0 | Benzene, 1,2-bis[(2-methoxyphenyl)ethynyl]-
CAS No: 823226-90-0 Catalog No: AG004YWN MDL No:
Product Description
Catalog Number:
AG004YWN
Chemical Name:
Benzene, 1,2-bis[(2-methoxyphenyl)ethynyl]-
CAS Number:
823226-90-0
Molecular Formula:
C24H18O2
Molecular Weight:
338.3985
IUPAC Name:
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
InChI:
InChI=1S/C24H18O2/c1-25-23-13-7-5-11-21(23)17-15-19-9-3-4-10-20(19)16-18-22-12-6-8-14-24(22)26-2/h3-14H,1-2H3
InChI Key:
UPKOWKBDKQMHBY-UHFFFAOYSA-N
SMILES:
COc1ccccc1C#Cc1ccccc1C#Cc1ccccc1OC
NSC Number:
727179
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.131g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.406g/mol
Monoisotopic Mass:
338.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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