Home Halogens Pentanoic acid, 2-chloro-3-oxo-, ethyl ester

Pentanoic acid, 2-chloro-3-oxo-, ethyl ester

CAS No.:
24045-73-6
Catalog Number:
AG006XLO
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
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Product Description
Catalog Number:
AG006XLO
Chemical Name:
Pentanoic acid, 2-chloro-3-oxo-, ethyl ester
CAS Number:
24045-73-6
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
MDL Number:
MFCD20621220
IUPAC Name:
ethyl 2-chloro-3-oxopentanoate
InChI:
InChI=1S/C7H11ClO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3
InChI Key:
GEMFOQNVIPGLNR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)CC)Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties