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Home Other Building Blocks Methyl 2,4-dioxo-4-phenylbutanoate

Methyl 2,4-dioxo-4-phenylbutanoate

CAS No.:
20577-73-5
Catalog Number:
AG002ACL
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$157
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG002ACL
Chemical Name:
Methyl 2,4-dioxo-4-phenylbutanoate
CAS Number:
20577-73-5
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD00225528
IUPAC Name:
methyl 2,4-dioxo-4-phenylbutanoate
InChI:
InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
AQYAHPDSJAFBOS-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CC(=O)c1ccccc1
NSC Number:
208703
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Discovery of alpha,gamma-diketo acids as potent selective and reversible inhibitors of hepatitis C virus NS5b RNA-dependent RNA polymerase. Journal of medicinal chemistry 20040101
Properties