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88931-81-1 | 2-Octanone, 4-butyl-8-iodo-
CAS No: 88931-81-1 Catalog No: AG00480K MDL No:
Product Description
Catalog Number:
AG00480K
Chemical Name:
2-Octanone, 4-butyl-8-iodo-
CAS Number:
88931-81-1
Molecular Formula:
C12H23IO
Molecular Weight:
310.2149
IUPAC Name:
4-butyl-8-iodooctan-2-one
InChI:
InChI=1S/C12H23IO/c1-3-4-7-12(10-11(2)14)8-5-6-9-13/h12H,3-10H2,1-2H3
InChI Key:
XBVZBKMRNVOJKA-UHFFFAOYSA-N
SMILES:
CCCCC(CC(=O)C)CCCCI
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.219g/mol
Monoisotopic Mass:
310.079g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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