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10147-11-2 | Benzene, 2-propyn-1-yl-
CAS No: 10147-11-2 Catalog No: AG0004KH MDL No:MFCD00134431
Product Description
Catalog Number:
AG0004KH
Chemical Name:
Benzene, 2-propyn-1-yl-
CAS Number:
10147-11-2
Molecular Formula:
C9H8
Molecular Weight:
116.1598
MDL Number:
MFCD00134431
IUPAC Name:
prop-2-ynylbenzene
InChI:
InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2
InChI Key:
NGKSKVYWPINGLI-UHFFFAOYSA-N
SMILES:
CC#Cc1ccccc1
UNII:
EU32H24A0A
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.163g/mol
Monoisotopic Mass:
116.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Phenylpropargyl radicals and their dimerization products: an IR/UV double resonance study. | The journal of physical chemistry. A 20120823 |
| Sequential allenylidene/vinylidene cyclization for stereoselective construction of bicyclic carbocycles from propargyl alcohol. | Organic letters 20120803 |
| Syntheses of α-pyrones using gold-catalyzed coupling reactions. | Organic letters 20110603 |
| Photoionization of three isomers of the C9H7 radical. | The journal of physical chemistry. A 20100415 |
| Identification of the jet-cooled 1-indanyl radical by electronic spectroscopy. | The journal of physical chemistry. A 20090924 |
| Spectroscopic identification of the resonance-stabilized cis- and trans-1-vinylpropargyl radicals. | Journal of the American Chemical Society 20090923 |
| Laser-induced fluorescence and dispersed fluorescence spectroscopy of jet-cooled 1-phenylpropargyl radical. | The Journal of chemical physics 20090414 |
| Spectroscopic observation of the resonance-stabilized 1-phenylpropargyl radical. | Journal of the American Chemical Society 20080312 |
| Claisen rearrangement induced by low-energy collision of ESI-generated, protonated benzyloxy indoles. | Journal of mass spectrometry : JMS 20071201 |
| Reaction dynamics of phenyl radicals (C6H5, X2A') with methylacetylene (CH3CCH(X1A1)), allene (H2CCCH2(X1A1)), and their D4-isotopomers. | The journal of physical chemistry. A 20071115 |
| Photochemical and discharge-driven pathways to aromatic products from 1,3-butadiene. | The journal of physical chemistry. A 20071101 |
| Characterization of substituted polyacetylene microstructure by pyrolysis gas chromatography. | Journal of separation science 20070301 |
| [(NHC)AuI]-catalyzed formation of conjugated enones and enals: an experimental and computational study. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Organometallic coordination polymers generated from bent Bis(acetylenylphenyl)oxadiazole ligands and Ag(I) salts. | Inorganic chemistry 20050919 |
| The Pd(4)(dppm)(4)(H)(2)(2+) cluster: a precatalyst for the homogeneous hydrogenation of alkynes. | Inorganic chemistry 20040126 |
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