Home Halogens Pentanoic acid, 5-chloro-4-oxo-, ethyl ester

Pentanoic acid, 5-chloro-4-oxo-, ethyl ester

CAS No.:
14594-24-2
Catalog Number:
AG001DJL
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
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Product Description
Catalog Number:
AG001DJL
Chemical Name:
Pentanoic acid, 5-chloro-4-oxo-, ethyl ester
CAS Number:
14594-24-2
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
MDL Number:
MFCD20621661
IUPAC Name:
ethyl 5-chloro-4-oxopentanoate
InChI:
InChI=1S/C7H11ClO3/c1-2-11-7(10)4-3-6(9)5-8/h2-5H2,1H3
InChI Key:
DPWSGDKZQIYIQC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)CCl
Properties
Complexity:
145  
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:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties