Home Halogens 3,3,3-trichloro-2-oxopropanoic acid

3,3,3-trichloro-2-oxopropanoic acid

CAS No.:
105319-39-9
Catalog Number:
AG01BF7R
Molecular Formula:
C3HCl3O3
Molecular Weight:
191.3972
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Product Description
Catalog Number:
AG01BF7R
Chemical Name:
3,3,3-trichloro-2-oxopropanoic acid
CAS Number:
105319-39-9
Molecular Formula:
C3HCl3O3
Molecular Weight:
191.3972
MDL Number:
MFCD00050958
IUPAC Name:
3,3,3-trichloro-2-oxopropanoic acid
InChI:
InChI=1S/C3HCl3O3/c4-3(5,6)1(7)2(8)9/h(H,8,9)
InChI Key:
FCVVMWCTXQMCQC-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)C(=O)O
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.899g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.388g/mol
Monoisotopic Mass:
189.899g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties