4-Aminoisobenzofuran-1,3-dione - CAS 17395-99-2
Catalog: |
BB054987 |
Product Name: |
4-Aminoisobenzofuran-1,3-dione |
CAS: |
17395-99-2 |
Synonyms: |
4-AMINOISOBENZOFURAN-1,3-DIONE; 4-amino-2-benzofuran-1,3-dione; 3-aminophthalic anhydride; 1,3-Isobenzofurandione, 4-amino-; 1,3-Isobenzofurandione,4-amino-(9CI); 4-amino-1,3-Isobenzofurandione |
IUPAC Name: | 4-amino-2-benzofuran-1,3-dione |
Molecular Weight: | 163.13 |
Molecular Formula: | C8H5NO3 |
Canonical SMILES: | C1=CC2=C(C(=C1)N)C(=O)OC2=O |
InChI: | InChI=1S/C8H5NO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,9H2 |
InChI Key: | DQNFPCOVVBRXOY-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.026943022 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.026943022 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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