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4-Phenyl-3-butyn-2-one

CAS No.:
1817-57-8
Catalog Number:
AG00232E
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$35
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Product Description
Catalog Number:
AG00232E
Chemical Name:
4-Phenyl-3-butyn-2-one
CAS Number:
1817-57-8
Molecular Formula:
C10H8O
Molecular Weight:
144.1699
MDL Number:
MFCD00008776
IUPAC Name:
4-phenylbut-3-yn-2-one
InChI:
InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3
InChI Key:
UPEUQDJSUFHFQP-UHFFFAOYSA-N
SMILES:
CC(=O)C#Cc1ccccc1
EC Number:
217-327-1
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.173g/mol
Monoisotopic Mass:
144.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
One-pot synthesis of novel 1H-pyrimido[4,5-c][1,2]diazepines and pyrazolo[3,4-d]pyrimidines. Beilstein journal of organic chemistry 20060101
Addition of bromine chloride and iodine monochloride to carbonyl-conjugated, acetylenic ketones: synthesis and mechanisms. The Journal of organic chemistry 20020405
Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations. Drug metabolism and disposition: the biological fate of chemicals 20020401
Properties