Home Carbonyls 3-(ethoxycarbonyl)-4-oxopentanoic acid

3-(ethoxycarbonyl)-4-oxopentanoic acid

CAS No.:
42161-03-5
Catalog Number:
AG01BBOB
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
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Product Description
Catalog Number:
AG01BBOB
Chemical Name:
3-(ethoxycarbonyl)-4-oxopentanoic acid
CAS Number:
42161-03-5
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
MDL Number:
MFCD20641658
IUPAC Name:
3-ethoxycarbonyl-4-oxopentanoic acid
InChI:
InChI=1S/C8H12O5/c1-3-13-8(12)6(5(2)9)4-7(10)11/h6H,3-4H2,1-2H3,(H,10,11)
InChI Key:
IEMQIKPUEXYLRF-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)OCC)CC(=O)O
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties