| CAS Number | 319474-35-6 |
| Catalog Number | AG00CIUE(AGN-PC-0WNRFC) |
| Chemical Name | 1H-Indazole-6-carboxylic acid, 3-forMyl- |
| IUPAC Name | 3-formyl-2H-indazole-6-carboxylic acid |
| InChI | InChI=1S/C9H6N2O3/c12-4-8-6-2-1-5(9(13)14)3-7(6)10-11-8/h1-4H,(H,10,11)(H,13,14) |
| InChI Key | HSRKNZOHAZLZKQ-UHFFFAOYSA-N |
| MDL Number | MFCD12405200 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | O=C(C1=CC2=C(C=C1)C(C=O)=NN2)O |
| Synonyms | 3-Formyl-1H-indazole-6-carboxylic acid,
319474-35-6,
1H-Indazole-6-carboxylic acid, 3-formyl-,
3-formyl-2H-indazole-6-carboxylic acid,
SCHEMBL5249402,
DTXSID60619278,
HSRKNZOHAZLZKQ-UHFFFAOYSA-N,
2281AJ,
MFCD12405200,
ZINC44185540,
AKOS022172260,
3-formyl-1H-indazole-6 carboxylic acid,
3-Formyl 1H-indazole-6-carboxylic acid,
AS-49405,
AJ-109532,
FT-0717666,
W-2582,
Z1965587796,
C9H6N2O3,
ACN-044607,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.158g/mol |
| Monoisotopic Mass | 190.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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