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Home Other Building Blocks 1-Phenyl-2-propyn-1-one

1-Phenyl-2-propyn-1-one

CAS No.:
3623-15-2
Catalog Number:
AG003EM2
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
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Product Description
Catalog Number:
AG003EM2
Chemical Name:
1-Phenyl-2-propyn-1-one
CAS Number:
3623-15-2
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
MDL Number:
MFCD06661646
IUPAC Name:
1-phenylprop-2-yn-1-one
InChI:
InChI=1S/C9H6O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7H
InChI Key:
JITPLZPWKYUTDM-UHFFFAOYSA-N
SMILES:
C#CC(=O)c1ccccc1
UNII:
B1VA1ZWT28
NSC Number:
140267
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.042g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.146g/mol
Monoisotopic Mass:
130.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
One-pot synthesis of 1,3,5-tribenzoylbenzenes by three consecutive Michael addition reactions of 1-phenyl-2-propyn-1-ones in pressurized hot water in the absence of added catalysts. Chemistry (Weinheim an der Bergstrasse, Germany) 20110110
5,15-Bis(3,5-di-tert-butyl-phen-yl)-10,20-bis-(phenyl-ethyn-yl)porphyrin. Acta crystallographica. Section E, Structure reports online 20091201
The alpha-effect in reactions of sp-hybridized carbon atom: Michael-type reactions of 1-aryl-2-propyn-1-ones with primary amines. The Journal of organic chemistry 20050916
Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations. Organic & biomolecular chemistry 20041207
Properties