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68066-06-8

68066-06-8 | 2-chloroethyl 4-oxopentanoate

CAS No: 68066-06-8 Catalog No: AG006G35 MDL No:

Product Description

Catalog Number:
AG006G35
Chemical Name:
2-chloroethyl 4-oxopentanoate
CAS Number:
68066-06-8
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
2-chloroethyl 4-oxopentanoate
InChI:
InChI=1S/C7H11ClO3/c1-6(9)2-3-7(10)11-5-4-8/h2-5H2,1H3
InChI Key:
KIHRLAUMCDEDFS-UHFFFAOYSA-N
SMILES:
ClCCOC(=O)CCC(=O)C
NSC Number:
40966

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:
0.3  

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