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88159-65-3 | 3-Buten-2-ol, 4-iodo-2-methyl-1-phenoxy-, (E)-
CAS No: 88159-65-3 Catalog No: AG004FZN MDL No:
Product Description
Catalog Number:
AG004FZN
Chemical Name:
3-Buten-2-ol, 4-iodo-2-methyl-1-phenoxy-, (E)-
CAS Number:
88159-65-3
Molecular Formula:
C11H13IO2
Molecular Weight:
304.1242
IUPAC Name:
4-iodo-2-methyl-1-phenoxybut-3-en-2-ol
InChI:
InChI=1S/C11H13IO2/c1-11(13,7-8-12)9-14-10-5-3-2-4-6-10/h2-8,13H,9H2,1H3
InChI Key:
OEIGSWGGNOTGFA-UHFFFAOYSA-N
SMILES:
I/C=C/C(COc1ccccc1)(O)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.127g/mol
Monoisotopic Mass:
303.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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