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13633-26-6 | Benzene, 3-buten-1-yn-1-yl-
CAS No: 13633-26-6 Catalog No: AG0011NE MDL No:
Product Description
Catalog Number:
AG0011NE
Chemical Name:
Benzene, 3-buten-1-yn-1-yl-
CAS Number:
13633-26-6
Molecular Formula:
C10H8
Molecular Weight:
128.1705
IUPAC Name:
but-3-en-1-ynylbenzene
InChI:
InChI=1S/C10H8/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1H2
InChI Key:
GDELZQKEFMWYKA-UHFFFAOYSA-N
SMILES:
C=CC#Cc1ccccc1
Properties
Complexity:
159
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:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Duschinsky mixing between four non-totally symmetric normal coordinates in the S(1)-S(0) vibronic structure of (E)-phenylvinylacetylene: a quantitative analysis. | Physical chemistry chemical physics : PCCP 20100314 |
| Spectroscopy and photophysics of structural isomers of naphthalene: Z-phenylvinylacetylene. | The journal of physical chemistry. A 20100311 |
| Isomer specific spectroscopy of C10Hn, n = 8-12: exploring pathways to naphthalene in Titan's atmosphere. | Faraday discussions 20100101 |
| Spectroscopic characterization of structural isomers of naphthalene: (E)- and (Z)-phenylvinylacetylene. | The journal of physical chemistry. A 20081002 |
| One-step synthesis of low molecular weight poly(p-phenyleneethynylenevinylene)s via polyaddition of aromatic diynes by catalysis of the [Ru(p-cymene)Cl2]2/AcOH system. | The Journal of organic chemistry 20080516 |
| Hydrogen-mediated C-C bond formation: catalytic regio- and stereoselective reductive condensation of alpha-keto aldehydes and 1,3-enynes. | Journal of the American Chemical Society 20040414 |
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