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86633-06-9 | Pentanoic acid, 5-chloro-2-oxo-, ethyl ester
CAS No: 86633-06-9 Catalog No: AG004KZL MDL No:
Product Description
Catalog Number:
AG004KZL
Chemical Name:
Pentanoic acid, 5-chloro-2-oxo-, ethyl ester
CAS Number:
86633-06-9
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
ethyl 5-chloro-2-oxopentanoate
InChI:
InChI=1S/C7H11ClO3/c1-2-11-7(10)6(9)4-3-5-8/h2-5H2,1H3
InChI Key:
LDPJSSLRXGLZNF-UHFFFAOYSA-N
SMILES:
ClCCCC(=O)C(=O)OCC
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:
1.2
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