7-Nitro-1,4-benzodioxane-6-carboxylic Acid - CAS 57672-33-0
Catalog: |
BB029783 |
Product Name: |
7-Nitro-1,4-benzodioxane-6-carboxylic Acid |
CAS: |
57672-33-0 |
Synonyms: |
6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid; 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid |
IUPAC Name: | 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid |
Description: | 7-Nitro-1,4-benzodioxane-6-carboxylic Acid (CAS# 57672-33-0) is a useful research chemical. |
Molecular Weight: | 225.15 |
Molecular Formula: | C9H7NO6 |
Canonical SMILES: | C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C9H7NO6/c11-9(12)5-3-7-8(16-2-1-15-7)4-6(5)10(13)14/h3-4H,1-2H2,(H,11,12) |
InChI Key: | QBFGQHROZQJASA-UHFFFAOYSA-N |
Boiling Point: | 414.8 °C at 760 mmHg |
Density: | 1.577 g/cm3 |
MDL: | MFCD01116988 |
LogP: | 1.58740 |
Publication Number | Title | Priority Date |
ES-2211175-T3 | INHIBITORS OF TYPEOSIN KINASE PROTEINS BASED ON REPLACED 3-CYANOQUINOLINS. | 19980929 |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.02733694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.02733694 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 102 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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