Home Halogens Propanoic acid, 2-chloro-3-oxo-, methyl ester

Propanoic acid, 2-chloro-3-oxo-, methyl ester

CAS No.:
20656-61-5
Catalog Number:
AG002ILS
Molecular Formula:
C4H5ClO3
Molecular Weight:
136.5337
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$231
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Product Description
Catalog Number:
AG002ILS
Chemical Name:
Propanoic acid, 2-chloro-3-oxo-, methyl ester
CAS Number:
20656-61-5
Molecular Formula:
C4H5ClO3
Molecular Weight:
136.5337
MDL Number:
MFCD15142843
IUPAC Name:
methyl 2-chloro-3-oxopropanoate
InChI:
InChI=1S/C4H5ClO3/c1-8-4(7)3(5)2-6/h2-3H,1H3
InChI Key:
LXSUVYGZODASAI-UHFFFAOYSA-N
SMILES:
COC(=O)C(C=O)Cl
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.993g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.531g/mol
Monoisotopic Mass:
135.993g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties