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102272-30-0 | Octanoic acid, 2,2-dichloro-
CAS No: 102272-30-0 Catalog No: AG00072Y MDL No:
Product Description
Catalog Number:
AG00072Y
Chemical Name:
Octanoic acid, 2,2-dichloro-
CAS Number:
102272-30-0
Molecular Formula:
C8H14Cl2O2
Molecular Weight:
213.1016
IUPAC Name:
2,2-dichlorooctanoic acid
InChI:
InChI=1S/C8H14Cl2O2/c1-2-3-4-5-6-8(9,10)7(11)12/h2-6H2,1H3,(H,11,12)
InChI Key:
UTUNURLNZXJIEN-UHFFFAOYSA-N
SMILES:
CCCCCCC(C(=O)O)(Cl)Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.098g/mol
Monoisotopic Mass:
212.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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