Methyl 4-Acetamido-3-allyl-2-hydroxybenzoate - CAS 110751-41-2
Catalog: |
BB063749 |
Product Name: |
Methyl 4-Acetamido-3-allyl-2-hydroxybenzoate |
CAS: |
110751-41-2 |
Synonyms: |
Benzoic acid, 4-(acetylamino)-2-hydroxy-3-(2-propenyl)-, methyl ester; methyl 2-hydroxy-3-allyl-4-acetaminobenzoate; methyl 3-allyl-4-acetylaminosalicylate; Methyl 2-hydroxy3-allyl-4-acetaminobenzoate; 4-acetylamino-3-allyl-2-hydroxy-benzoic acid methyl ester |
IUPAC Name: | methyl 4-acetamido-2-hydroxy-3-prop-2-enylbenzoate |
Description: | Methyl 4-Acetamido-3-allyl-2-hydroxybenzoate is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 249.26 |
Molecular Formula: | C13H15NO4 |
Canonical SMILES: | CC(=O)NC1=C(C(=C(C=C1)C(=O)OC)O)CC=C |
InChI: | InChI=1S/C13H15NO4/c1-4-5-9-11(14-8(2)15)7-6-10(12(9)16)13(17)18-3/h4,6-7,16H,1,5H2,2-3H3,(H,14,15) |
InChI Key: | WPIUICUWBBLVAJ-UHFFFAOYSA-N |
References: | Kakigami, T., et al. Chem. Pharm. Bull., 46, 42 (1998). |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 75.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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