Home Other Building Blocks Butanoic acid, 2-(benzoyloxy)-3-oxo-, ethyl ester

Butanoic acid, 2-(benzoyloxy)-3-oxo-, ethyl ester

CAS No.:
4620-46-6
Catalog Number:
AG00DQWY
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
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Product Description
Catalog Number:
AG00DQWY
Chemical Name:
Butanoic acid, 2-(benzoyloxy)-3-oxo-, ethyl ester
CAS Number:
4620-46-6
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
MDL Number:
MFCD26407784
IUPAC Name:
(1-ethoxy-1,3-dioxobutan-2-yl) benzoate
InChI:
InChI=1S/C13H14O5/c1-3-17-13(16)11(9(2)14)18-12(15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChI Key:
QXJXFGNDWSSQAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)OC(=O)c1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties