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146276-26-8 | Benzene, 1-buten-3-ynyl-, radical ion(1+), (Z)- (9CI)
CAS No: 146276-26-8 Catalog No: AG001DTV MDL No:
Product Description
Catalog Number:
AG001DTV
Chemical Name:
Benzene, 1-buten-3-ynyl-, radical ion(1+), (Z)- (9CI)
CAS Number:
146276-26-8
Molecular Formula:
C10H8
Molecular Weight:
128.1705
IUPAC Name:
but-1-en-3-ynylbenzene
InChI:
InChI=1S/C10H8/c1-2-3-7-10-8-5-4-6-9-10/h1,3-9H
InChI Key:
FRSPRPODGOIJPJ-UHFFFAOYSA-N
SMILES:
C#C/C=C/c1ccccc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.174g/mol
Monoisotopic Mass:
128.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Addition of one and two units of C2H to styrene: a theoretical study of the C10H9 and C12H9 systems and implications toward growth of polycyclic aromatic hydrocarbons at low temperatures. | The Journal of chemical physics 20110114 |
| Synthesis and spectral properties of cholesterol- and FTY720-containing boron dipyrromethene dyes. | The Journal of organic chemistry 20071026 |
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