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2098457-00-0 | (Z)-2-iodo-3-(4-methylbenzyl)but-2-ene-1,4-diol
CAS No: 2098457-00-0 Catalog No: AG01FOPA MDL No:
Product Description
Catalog Number:
AG01FOPA
Chemical Name:
(Z)-2-iodo-3-(4-methylbenzyl)but-2-ene-1,4-diol
CAS Number:
2098457-00-0
IUPAC Name:
2-iodo-3-[(4-methylphenyl)methyl]but-2-ene-1,4-diol
InChI:
InChI=1S/C12H15IO2/c1-9-2-4-10(5-3-9)6-11(7-14)12(13)8-15/h2-5,14-15H,6-8H2,1H3
InChI Key:
GGCQNGWRTRCKJW-UHFFFAOYSA-N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.154g/mol
Monoisotopic Mass:
318.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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