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89635-56-3 | Butanal, 4,4-dichloro-2,2-dimethyl-3-oxo-
CAS No: 89635-56-3 Catalog No: AG003W8S MDL No:
Product Description
Catalog Number:
AG003W8S
Chemical Name:
Butanal, 4,4-dichloro-2,2-dimethyl-3-oxo-
CAS Number:
89635-56-3
Molecular Formula:
C6H8Cl2O2
Molecular Weight:
183.0325
IUPAC Name:
4,4-dichloro-2,2-dimethyl-3-oxobutanal
InChI:
InChI=1S/C6H8Cl2O2/c1-6(2,3-9)4(10)5(7)8/h3,5H,1-2H3
InChI Key:
PORXMCPJBJOLFP-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)C(Cl)Cl)(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.99g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.028g/mol
Monoisotopic Mass:
181.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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