3-(1,3-Dioxo-octahydro-isoindol-2-yl)-propionic acid - CAS 362000-58-6
Catalog: |
BB049078 |
Product Name: |
3-(1,3-Dioxo-octahydro-isoindol-2-yl)-propionic acid |
CAS: |
362000-58-6 |
Synonyms: |
3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanoic acid; 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)propanoic acid; 3-(1,3-Dioxohexahydro-1H-isoindol-2(3H)-yl)propanoic acid |
IUPAC Name: | 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid |
Description: | 3-(1,3-Dioxo-octahydro-isoindol-2-yl)-propionic acid (CAS# 362000-58-6 ) is a useful research chemical. |
Molecular Weight: | 225.24 |
Molecular Formula: | C11H15NO4 |
Canonical SMILES: | C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)O |
InChI: | InChI=1S/C11H15NO4/c13-9(14)5-6-12-10(15)7-3-1-2-4-8(7)11(12)16/h7-8H,1-6H2,(H,13,14) |
InChI Key: | IJLCTNHKIXADOV-UHFFFAOYSA-N |
Boiling Point: | 462.2±28.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.10010796 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.7 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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