3-Formyl-1H-indazole-5-carboxylic Acid - CAS 885519-98-2
Catalog: |
BB065316 |
Product Name: |
3-Formyl-1H-indazole-5-carboxylic Acid |
CAS: |
885519-98-2 |
Synonyms: |
3-Formyl-1H-indazole-5-carboxylic acid; 3-formyl-2H-indazole-5-carboxylic acid; 1H-Indazole-5-carboxylic acid, 3-formyl- |
IUPAC Name: | 3-formyl-2H-indazole-5-carboxylic acid |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC2=NNC(=C2C=C1C(=O)O)C=O |
InChI: | InChI=1S/C9H6N2O3/c12-4-8-6-3-5(9(13)14)1-2-7(6)10-11-8/h1-4H,(H,10,11)(H,13,14) |
InChI Key: | MAPWHWRNFRJKFI-UHFFFAOYSA-N |
References: | Chevalier, A., et al. RSC Advances, 8, 13121 (2018). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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