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872597-92-7 | 2-Pentanol, 3-iodo-2-methyl-
CAS No: 872597-92-7 Catalog No: AG004PYW MDL No:
Product Description
Catalog Number:
AG004PYW
Chemical Name:
2-Pentanol, 3-iodo-2-methyl-
CAS Number:
872597-92-7
Molecular Formula:
C6H13IO
Molecular Weight:
228.0713
IUPAC Name:
3-iodo-2-methylpentan-2-ol
InChI:
InChI=1S/C6H13IO/c1-4-5(7)6(2,3)8/h5,8H,4H2,1-3H3
InChI Key:
XPFXZNNBBVLNOB-UHFFFAOYSA-N
SMILES:
CCC(C(O)(C)C)I
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.001g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.073g/mol
Monoisotopic Mass:
228.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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