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89635-65-4 | Pentanal, 5-chloro-2,2-dimethyl-3-oxo-
CAS No: 89635-65-4 Catalog No: AG003WIQ MDL No:
Product Description
Catalog Number:
AG003WIQ
Chemical Name:
Pentanal, 5-chloro-2,2-dimethyl-3-oxo-
CAS Number:
89635-65-4
Molecular Formula:
C7H11ClO2
Molecular Weight:
162.6140
IUPAC Name:
5-chloro-2,2-dimethyl-3-oxopentanal
InChI:
InChI=1S/C7H11ClO2/c1-7(2,5-9)6(10)3-4-8/h5H,3-4H2,1-2H3
InChI Key:
XEBZPMCTWVQWFQ-UHFFFAOYSA-N
SMILES:
ClCCC(=O)C(C=O)(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.613g/mol
Monoisotopic Mass:
162.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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