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165260-19-5 | Hexanal, 5,5-dichloro-
CAS No: 165260-19-5 Catalog No: AG001W1O MDL No:
Product Description
Catalog Number:
AG001W1O
Chemical Name:
Hexanal, 5,5-dichloro-
CAS Number:
165260-19-5
Molecular Formula:
C6H10Cl2O
Molecular Weight:
169.0490
IUPAC Name:
5,5-dichlorohexanal
InChI:
InChI=1S/C6H10Cl2O/c1-6(7,8)4-2-3-5-9/h5H,2-4H2,1H3
InChI Key:
HRYAOODZAIZDHF-UHFFFAOYSA-N
SMILES:
O=CCCCC(Cl)(Cl)C
Properties
Complexity:
91.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.045g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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