5-Iodovanillic Acid - CAS 98554-57-5
Catalog: |
BB060732 |
Product Name: |
5-Iodovanillic Acid |
CAS: |
98554-57-5 |
Synonyms: |
4-HYDROXY-3-IODO-5-METHOXYBENZOIC ACID |
IUPAC Name: | 4-hydroxy-3-iodo-5-methoxybenzoic acid |
Description: | 5-Iodovanillic acid (cas# 98554-57-5) is a useful research chemical. |
Molecular Weight: | 294.04 |
Molecular Formula: | C8H7IO4 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C(=O)O)I)O |
InChI: | InChI=1S/C8H7IO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12) |
InChI Key: | HAOSLIWMPLNZEB-UHFFFAOYSA-N |
Melting Point: | 219-221°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | 4°C |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.93891 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.93891 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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