2-Phthalimidyl-3-(3?-acetoxyphenyl)propionic Acid Methyl Ester - CAS 1076199-33-1
Catalog: |
BB058145 |
Product Name: |
2-Phthalimidyl-3-(3?-acetoxyphenyl)propionic Acid Methyl Ester |
CAS: |
1076199-33-1 |
Synonyms: |
2-Phthalimidyl-3-(3'-acetoxyphenyl)propionic Acid Methyl Ester; 2-PHTHALIMIDYL-3-(3ACETOXYPHENYL)PROPIONIC ACID METHYL ESTER; methyl 3-(3-acetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanoate; 2-Phthalimidyl-3-(3 inverted exclamation mark -acetoxyphenyl)propionic Acid Methyl Ester; Methyl 3-[3-(acetyloxy)phenyl]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate |
IUPAC Name: | methyl 3-(3-acetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanoate |
Molecular Weight: | 367.35 |
Molecular Formula: | C20H17NO6 |
Canonical SMILES: | CC(=O)OC1=CC=CC(=C1)CC(C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O |
InChI: | InChI=1S/C20H17NO6/c1-12(22)27-14-7-5-6-13(10-14)11-17(20(25)26-2)21-18(23)15-8-3-4-9-16(15)19(21)24/h3-10,17H,11H2,1-2H3 |
InChI Key: | CBYNMYYQKRQNAI-UHFFFAOYSA-N |
Complexity: | 594 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 367.10558726 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 367.10558726 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 90Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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