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2903-43-7 | Pentanoic acid, 5,5,5-trichloro-4-oxo-
CAS No: 2903-43-7 Catalog No: AG002V9K MDL No:
Product Description
Catalog Number:
AG002V9K
Chemical Name:
Pentanoic acid, 5,5,5-trichloro-4-oxo-
CAS Number:
2903-43-7
Molecular Formula:
C5H5Cl3O3
Molecular Weight:
219.4504
IUPAC Name:
5,5,5-trichloro-4-oxopentanoic acid
InChI:
InChI=1S/C5H5Cl3O3/c6-5(7,8)3(9)1-2-4(10)11/h1-2H2,(H,10,11)
InChI Key:
CQKIKRVNPZYPRV-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)CCC(=O)O
NSC Number:
72063
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.93g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.442g/mol
Monoisotopic Mass:
217.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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