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18240-68-1 | Pentanoic acid, 2,2-dichloro-
CAS No: 18240-68-1 Catalog No: AG0023UC MDL No:
Product Description
Catalog Number:
AG0023UC
Chemical Name:
Pentanoic acid, 2,2-dichloro-
CAS Number:
18240-68-1
Molecular Formula:
C5H8Cl2O2
Molecular Weight:
171.0218
IUPAC Name:
2,2-dichloropentanoic acid
InChI:
InChI=1S/C5H8Cl2O2/c1-2-3-5(6,7)4(8)9/h2-3H2,1H3,(H,8,9)
InChI Key:
TWEBLPKRDRCUEH-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(Cl)Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.99g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.017g/mol
Monoisotopic Mass:
169.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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