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138036-74-5 | 2-Buten-1-ol, 4-[(2-iodophenyl)methoxy]-, (2Z)-
CAS No: 138036-74-5 Catalog No: AG0017W2 MDL No:
Product Description
Catalog Number:
AG0017W2
Chemical Name:
2-Buten-1-ol, 4-[(2-iodophenyl)methoxy]-, (2Z)-
CAS Number:
138036-74-5
Molecular Formula:
C11H13IO2
Molecular Weight:
304.1242
IUPAC Name:
4-[(2-iodophenyl)methoxy]but-2-en-1-ol
InChI:
InChI=1S/C11H13IO2/c12-11-6-2-1-5-10(11)9-14-8-4-3-7-13/h1-6,13H,7-9H2
InChI Key:
URDGQWOVDNAXQZ-UHFFFAOYSA-N
SMILES:
OC/C=C\COCc1ccccc1I
Properties
Complexity:
171
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:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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