Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate - CAS 39739-07-6
Catalog: |
BB059747 |
Product Name: |
Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate |
CAS: |
39739-07-6 |
Synonyms: |
methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate; Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxypropanoate; Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-hydroxypropanoate; Methyl2-(1,3-dioxoisoindolin-2-yl)-3-hydroxypropanoate |
IUPAC Name: | methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate |
Description: | Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate |
Molecular Weight: | 249.22 |
Molecular Formula: | C12H11NO5 |
Canonical SMILES: | COC(=O)C(CO)N1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C12H11NO5/c1-18-12(17)9(6-14)13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5,9,14H,6H2,1H3 |
InChI Key: | VLMFMOJAUYRNBB-UHFFFAOYSA-N |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.06372245 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.06372245 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 83.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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