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Home Carboxys 3-Oxopentane-1,5-dicarboxylic acid monoethyl ester

3-Oxopentane-1,5-dicarboxylic acid monoethyl ester

CAS No.:
1506-55-4
Catalog Number:
AG001MRV
Molecular Formula:
C9H13O5-
Molecular Weight:
201.1965
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
10g
95%
In Stock USA
United States
$525
- +
25g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG001MRV
Chemical Name:
3-Oxopentane-1,5-dicarboxylic acid monoethyl ester
CAS Number:
1506-55-4
Molecular Formula:
C9H13O5-
Molecular Weight:
201.1965
MDL Number:
MFCD00059093
IUPAC Name:
7-ethoxy-4,7-dioxoheptanoic acid
InChI:
InChI=1S/C9H14O5/c1-2-14-9(13)6-4-7(10)3-5-8(11)12/h2-6H2,1H3,(H,11,12)
InChI Key:
JYEYJELELKLPLO-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCC(=O)CCC(=O)OCC
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties