2-Phthalimidyl-3-(3?-hydroxyphenyl)propionic Acid Methyl Ester - CAS 1076199-35-3
Catalog: |
BB058144 |
Product Name: |
2-Phthalimidyl-3-(3?-hydroxyphenyl)propionic Acid Methyl Ester |
CAS: |
1076199-35-3 |
Synonyms: |
2-Phthalimidyl-3-(3'-hydroxyphenyl)propionic Acid Methyl Ester; METHYL 2-(1,3-DIOXOISOINDOL-2-YL)-3-(3-HYDROXYPHENYL)PROPANOATE; Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-(3-hydroxyphenyl)propanoate; 2-Phthalimidyl-3-(3 inverted exclamation mark -hydroxyphenyl)propionic Acid Methyl Ester |
IUPAC Name: | methyl 2-(1,3-dioxoisoindol-2-yl)-3-(3-hydroxyphenyl)propanoate |
Molecular Weight: | 325.32 |
Molecular Formula: | C18H15NO5 |
Canonical SMILES: | COC(=O)C(CC1=CC(=CC=C1)O)N2C(=O)C3=CC=CC=C3C2=O |
InChI: | InChI=1S/C18H15NO5/c1-24-18(23)15(10-11-5-4-6-12(20)9-11)19-16(21)13-7-2-3-8-14(13)17(19)22/h2-9,15,20H,10H2,1H3 |
InChI Key: | KIGGKSHXBJRUFV-UHFFFAOYSA-N |
Complexity: | 496 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.09502258 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.09502258 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 83.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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