(1,2-Benzisoxazol-3-yl)acetic Acid - CAS 4865-84-3
Catalog: |
BB026575 |
Product Name: |
(1,2-Benzisoxazol-3-yl)acetic Acid |
CAS: |
4865-84-3 |
Synonyms: |
2-(1,2-benzoxazol-3-yl)acetic acid; 2-(1,2-benzoxazol-3-yl)acetic acid |
IUPAC Name: | 2-(1,2-benzoxazol-3-yl)acetic acid |
Description: | (1,2-Benzisoxazol-3-yl)acetic Acid (CAS# 4865-84-3) is a synthetic auxin and an intermediate in the synthesis of Zonisamide (Z700000). |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NO2)CC(=O)O |
InChI: | InChI=1S/C9H7NO3/c11-9(12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H,11,12) |
InChI Key: | BVSIAYQIMUUCRW-UHFFFAOYSA-N |
Boiling Point: | 377.3 °C at 760 mmHg |
Density: | 1.394 g/cm3 |
Appearance: | Off-white solid |
MDL: | MFCD02180388 |
LogP: | 1.45490 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021047674-A1 | Bicyclic compound that acts as crbn protein regulator | 20190912 |
US-2020121681-A1 | Methods for hair follicle stem cell proliferation | 20181017 |
WO-2020061261-A1 | Inhibiting ubiquitin specific peptidase 9x | 20180919 |
EP-3572876-A1 | Monomer, polymer, negative resist composition, photomask blank, and resist pattern forming process | 20180525 |
EP-3572876-B1 | Monomer, polymer, negative resist composition, photomask blank, and resist pattern forming process | 20180525 |
PMID | Publication Date | Title | Journal |
26938474 | 20160324 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening | Journal of medicinal chemistry |
20502570 | 20090901 | HPLC method for simultaneous determination of impurities and degradation products in zonisamide | Indian journal of pharmaceutical sciences |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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