5-Methoxyisatoic Anhydride - CAS 37795-77-0
Catalog: |
BB023424 |
Product Name: |
5-Methoxyisatoic Anhydride |
CAS: |
37795-77-0 |
Synonyms: |
6-methoxy-1H-3,1-benzoxazine-2,4-dione; 6-methoxy-1H-3,1-benzoxazine-2,4-dione |
IUPAC Name: | 6-methoxy-1H-3,1-benzoxazine-2,4-dione |
Description: | 5-Methoxyisatoic Anhydride (CAS# 37795-77-0) is a reagent in the preparation of 18F-labeled radiotracers for GABAA receptor PET imaging. |
Molecular Weight: | 193.16 |
Molecular Formula: | C9H7NO4 |
Canonical SMILES: | COC1=CC2=C(C=C1)NC(=O)OC2=O |
InChI: | InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-4H,1H3,(H,10,12) |
InChI Key: | JFAFNQOODJCVGT-UHFFFAOYSA-N |
Density: | 1.376 g/cm3 |
LogP: | 0.48990 |
Publication Number | Title | Priority Date |
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Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0375077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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