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88462-72-0 | 3-Buten-2-ol, 4-iodo-1-phenoxy-, (E)-
CAS No: 88462-72-0 Catalog No: AG004F91 MDL No:
Product Description
Catalog Number:
AG004F91
Chemical Name:
3-Buten-2-ol, 4-iodo-1-phenoxy-, (E)-
CAS Number:
88462-72-0
Molecular Formula:
C10H11IO2
Molecular Weight:
290.0976
IUPAC Name:
4-iodo-1-phenoxybut-3-en-2-ol
InChI:
InChI=1S/C10H11IO2/c11-7-6-9(12)8-13-10-4-2-1-3-5-10/h1-7,9,12H,8H2
InChI Key:
XZZOLKKUNDGILM-UHFFFAOYSA-N
SMILES:
I/C=C/C(COc1ccccc1)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.1g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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