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70396-12-2 | 1-Butanol, 2-(iodomethylene)-, (2E)-
CAS No: 70396-12-2 Catalog No: AG005JJ0 MDL No:
Product Description
Catalog Number:
AG005JJ0
Chemical Name:
1-Butanol, 2-(iodomethylene)-, (2E)-
CAS Number:
70396-12-2
Molecular Formula:
C5H9IO
Molecular Weight:
212.0288
IUPAC Name:
2-(iodomethylidene)butan-1-ol
InChI:
InChI=1S/C5H9IO/c1-2-5(3-6)4-7/h3,7H,2,4H2,1H3
InChI Key:
OCDWCSLFGNYHDE-UHFFFAOYSA-N
SMILES:
CC/C(=C\I)/CO
Properties
Complexity:
68.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.97g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.03g/mol
Monoisotopic Mass:
211.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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