3-Dibenzofurancarboxylic Acid - CAS 29021-91-8
Catalog: |
BB020048 |
Product Name: |
3-Dibenzofurancarboxylic Acid |
CAS: |
29021-91-8 |
Synonyms: |
3-dibenzofurancarboxylic acid; dibenzofuran-3-carboxylic acid |
IUPAC Name: | dibenzofuran-3-carboxylic acid |
Description: | 3-Dibenzofurancarboxylic Acid (CAS# 29021-91-8 ) is a useful research chemical. |
Molecular Weight: | 212.20 |
Molecular Formula: | C13H8O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C(=O)O |
InChI: | InChI=1S/C13H8O3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H,14,15) |
InChI Key: | IPAZMLAVBPDMLK-UHFFFAOYSA-N |
LogP: | 3.28420 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021147882-A1 | Dibenzofuran derivative cathepsin k inhibitor, preparation method therefor and medical use thereof | 20200121 |
WO-2020198478-A1 | Serotonin 5-ht2b inhibitory compounds | 20190328 |
WO-2019158572-A1 | Inhibitors of trpc6 | 20180215 |
US-2020399282-A1 | Inhibitors of trpc6 | 20180215 |
US-10018911-B2 | Chemically amplified resist material and resist pattern-forming method | 20151109 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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