1H-Indazole-4-carboxylic acid - CAS 677306-38-6
Catalog: |
BB033381 |
Product Name: |
1H-Indazole-4-carboxylic acid |
CAS: |
677306-38-6 |
Synonyms: |
1H-indazole-4-carboxylic acid |
IUPAC Name: | 1H-indazole-4-carboxylic acid |
Description: | 1H-Indazole-4-carboxylic acid (CAS# 677306-38-6) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC(=C2C=NNC2=C1)C(=O)O |
InChI: | InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-7-6(5)4-9-10-7/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | KGKZHHIUOZGUNP-UHFFFAOYSA-N |
Boiling Point: | 443.749 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.507 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03840644 |
LogP: | 1.26110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
KR-20210069080-A | monoacylglycerol lipase modulator | 20180928 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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