| CAS Number | 1022158-36-6 |
| Catalog Number | AG00H9RH(AGN-PC-0WCKTD) |
| Chemical Name | 1-(Tetrahydro-2H-pyran-2-YL)-1H-indazole-4-carbaldehyde |
| IUPAC Name | 1-(oxan-2-yl)indazole-4-carbaldehyde |
| InChI | InChI=1S/C13H14N2O2/c16-9-10-4-3-5-12-11(10)8-14-15(12)13-6-1-2-7-17-13/h3-5,8-9,13H,1-2,6-7H2 |
| InChI Key | WHYXQPGHZDUOAZ-UHFFFAOYSA-N |
| MDL Number | MFCD22380290 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | O=Cc1cccc2c1cnn2C1CCCCO1 |
| Synonyms | 1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-INDAZOLE-4-CARBALDEHYDE,
1022158-36-6,
SCHEMBL4223412,
MFCD22380290,
PB33607,
1-(Oxan-2-yl)-1H-indazole-4-carbaldehyde,
CS-0057379,
Q-1550,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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