1H-Indazol-1-ylacetic acid - CAS 32829-25-7
Catalog: |
BB021429 |
Product Name: |
1H-Indazol-1-ylacetic acid |
CAS: |
32829-25-7 |
Synonyms: |
2-indazol-1-ylacetic acid |
IUPAC Name: | 2-indazol-1-ylacetic acid |
Description: | 1H-Indazol-1-ylacetic acid (CAS# 32829-25-7) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=NN2CC(=O)O |
InChI: | InChI=1S/C9H8N2O2/c12-9(13)6-11-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13) |
InChI Key: | ZNRZBEVYWWQQMN-UHFFFAOYSA-N |
Boiling Point: | 379.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.35 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02938037 |
LogP: | 1.12090 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021065898-A1 | Azepan derivative | 20190930 |
EP-3615024-A1 | Compositions and method for treating depression | 20170424 |
WO-2018200387-A1 | Compositions and method for treating depression | 20170424 |
US-2020375957-A1 | Compositions and method for treating depression | 20170424 |
JP-2019507130-A | Benzopyrazole compounds and their analogues | 20160201 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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