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112905-17-6 | 3-Heptanone, 7-iodo-4-methyl-
CAS No: 112905-17-6 Catalog No: AG007ROE MDL No:
Product Description
Catalog Number:
AG007ROE
Chemical Name:
3-Heptanone, 7-iodo-4-methyl-
CAS Number:
112905-17-6
Molecular Formula:
C8H15IO
Molecular Weight:
254.1086
IUPAC Name:
7-iodo-4-methylheptan-3-one
InChI:
InChI=1S/C8H15IO/c1-3-8(10)7(2)5-4-6-9/h7H,3-6H2,1-2H3
InChI Key:
SSQPDRFDDXVVPN-UHFFFAOYSA-N
SMILES:
ICCCC(C(=O)CC)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.111g/mol
Monoisotopic Mass:
254.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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