Pyridine-3,4-dicarboxylic Anhydride - CAS 4664-08-8
Catalog: |
BB026161 |
Product Name: |
Pyridine-3,4-dicarboxylic Anhydride |
CAS: |
4664-08-8 |
Synonyms: |
furo[3,4-c]pyridine-1,3-dione; furo[3,4-c]pyridine-1,3-dione |
IUPAC Name: | furo[3,4-c]pyridine-1,3-dione |
Description: | Pyridine-3,4-dicarboxylic Anhydride (CAS# 4664-08-8) is an intermediate used to prepare Pixantrone (P552500, dimaleate salt) which is an antineoplastic drug belonging to group of antitumor antibiotics. |
Molecular Weight: | 149.10 |
Molecular Formula: | C7H3NO3 |
Canonical SMILES: | C1=CN=CC2=C1C(=O)OC2=O |
InChI: | InChI=1S/C7H3NO3/c9-6-4-1-2-8-3-5(4)7(10)11-6/h1-3H |
InChI Key: | KFKMGUPDWTWQFM-UHFFFAOYSA-N |
Boiling Point: | 334.6 °C at 760 mmHg |
Melting Point: | 75-77 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.556 g/cm3 |
MDL: | MFCD00010680 |
LogP: | 0.39220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.011292958 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.011292958 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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