3-Acetoxy-2-phenylpropanoic Acid - CAS 14510-36-2
Catalog: |
BB009883 |
Product Name: |
3-Acetoxy-2-phenylpropanoic Acid |
CAS: |
14510-36-2 |
Synonyms: |
3-acetyloxy-2-phenylpropanoic acid; 3-acetyloxy-2-phenylpropanoic acid |
IUPAC Name: | 3-acetyloxy-2-phenylpropanoic acid |
Description: | Intermediate in the synthesis of Tropine and respective derivatives. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
Canonical SMILES: | CC(=O)OCC(C1=CC=CC=C1)C(=O)O |
InChI: | InChI=1S/C11H12O4/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14) |
InChI Key: | OXGQBORIYFGJPM-UHFFFAOYSA-N |
Boiling Point: | 348.201 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
LogP: | 1.41790 |
Publication Number | Title | Priority Date |
CN-111269226-A | Synthesis method of ipratropium bromide | 20200413 |
CN-111269226-B | Synthesis method of ipratropium bromide | 20200413 |
BR-112015022148-B1 | Combinations of active substances, cosmetic or dermatological preparations and cosmetic use | 20130311 |
ES-2675361-T3 | Stabilization of organic materials | 20040831 |
US-2004220259-A1 | Topical treatment of dermatological disorders associated with reactive or dilated blood vessels | 20030404 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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