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61223-30-1 | 5-Iodoferulic acid
CAS No: 61223-30-1 Catalog No: AG01EFB2 MDL No:
Product Description
Catalog Number:
AG01EFB2
Chemical Name:
5-Iodoferulic acid
CAS Number:
61223-30-1
IUPAC Name:
3-(4-hydroxy-3-iodo-5-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9IO4/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,14H,1H3,(H,12,13)
InChI Key:
JQIZBHHUQWUZTA-UHFFFAOYSA-N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.955g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.082g/mol
Monoisotopic Mass:
319.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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