(2E)-3-(4-Isopropoxy-3-methoxyphenyl)acrylic acid - CAS 32022-22-3
Catalog: |
BB046943 |
Product Name: |
(2E)-3-(4-Isopropoxy-3-methoxyphenyl)acrylic acid |
CAS: |
32022-22-3 |
Synonyms: |
(2E)-3-[3-methoxy-4-(propan-2-yloxy)phenyl]prop-2-enoic acid; (2E)-3-[3-methoxy-4-(methylethoxy)phenyl]prop-2-enoic acid; (E)-3-(4-Isopropoxy-3-methoxy-phenyl)-acrylic acid; (E)-3-(4-Isopropoxy-3-methoxyphenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoic acid |
Description: | (2E)-3-(4-Isopropoxy-3-methoxyphenyl)acrylic acid (CAS# 32022-22-3 ) is a useful research chemical. |
Molecular Weight: | 236.26 |
Molecular Formula: | C13H16O4 |
Canonical SMILES: | CC(C)OC1=C(C=C(C=C1)C=CC(=O)O)OC |
InChI: | InChI=1S/C13H16O4/c1-9(2)17-11-6-4-10(5-7-13(14)15)8-12(11)16-3/h4-9H,1-3H3,(H,14,15)/b7-5+ |
InChI Key: | HCIFIHNJOLFAAX-FNORWQNLSA-N |
Boiling Point: | 383.5±27.0 °C (Predicted) |
Melting Point: | 152-155 °C (acetone) |
Purity: | ≥ 95 % |
Density: | 1.144±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Acetone |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 236.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.10485899 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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