1,2,4-triazine-3-carbaldehyde - CAS 954241-33-9
Catalog: |
BB041720 |
Product Name: |
1,2,4-triazine-3-carbaldehyde |
CAS: |
954241-33-9 |
Synonyms: |
1,2,4-triazine-3-carboxaldehyde; 1,2,4-triazine-3-carbaldehyde |
IUPAC Name: | 1,2,4-triazine-3-carbaldehyde |
Description: | 1,2,4-triazine-3-carbaldehyde (CAS# 954241-33-9 ) is a useful research chemical. |
Molecular Weight: | 109.088 |
Molecular Formula: | C4H3N3O |
Canonical SMILES: | C1=CN=NC(=N1)C=O |
InChI: | InChI=1S/C4H3N3O/c8-3-4-5-1-2-6-7-4/h1-3H |
InChI Key: | OSDSMXPYXOBABR-UHFFFAOYSA-N |
Boiling Point: | 298.5±23.0 °C (760 mmHg) |
Density: | 1.350±0.06 g/cm3 (20 °C, 760 mmH g) |
LogP: | -0.31590 |
Publication Number | Title | Priority Date |
US-2014378448-A1 | Novel pyrazole derivative | 20130227 |
US-2015132327-A1 | Novel pyrazole derivative | 20130227 |
US-2015133448-A1 | Novel pyrazole derivative | 20130227 |
US-2015166536-A1 | Novel pyrazole derivative | 20130227 |
US-8980888-B2 | Pyrazole derivative | 20130227 |
Complexity: | 85.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.027611728 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.027611728 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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