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Home > Other Building Blocks > 1483-74-5
1483-74-5 | 2-Butyne-1,4-diol, 1,1,4,4-tetraphenyl-
CAS No: 1483-74-5 Catalog No: AG001FLO MDL No:MFCD00046566
Product Description
Catalog Number:
AG001FLO
Chemical Name:
2-Butyne-1,4-diol, 1,1,4,4-tetraphenyl-
CAS Number:
1483-74-5
Molecular Formula:
C28H22O2
Molecular Weight:
390.4731
MDL Number:
MFCD00046566
IUPAC Name:
1,1,4,4-tetraphenylbut-2-yne-1,4-diol
InChI:
InChI=1S/C28H22O2/c29-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-28(30,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,29-30H
InChI Key:
CPXHDGJIYPGMMZ-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)(c1ccccc1)C#CC(c1ccccc1)(c1ccccc1)O
UNII:
R6I6TL4IUF
NSC Number:
666680
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.482g/mol
Monoisotopic Mass:
390.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| (E)-1,1,4,4-Tetra-phenyl-but-2-yne-1,4-diol. | Acta crystallographica. Section E, Structure reports online 20100301 |
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