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114192-09-5 | Pentanoic acid, 2-chloro-3-oxo-, methyl ester
CAS No: 114192-09-5 Catalog No: AG000AR5 MDL No:MFCD00671584
Product Description
Catalog Number:
AG000AR5
Chemical Name:
Pentanoic acid, 2-chloro-3-oxo-, methyl ester
CAS Number:
114192-09-5
Molecular Formula:
C6H9ClO3
Molecular Weight:
164.5869
MDL Number:
MFCD00671584
IUPAC Name:
methyl 2-chloro-3-oxopentanoate
InChI:
InChI=1S/C6H9ClO3/c1-3-4(8)5(7)6(9)10-2/h5H,3H2,1-2H3
InChI Key:
HQKDHMCNAMQTFI-UHFFFAOYSA-N
SMILES:
CCC(=O)C(C(=O)OC)Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.024g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.585g/mol
Monoisotopic Mass:
164.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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