2-methyl-1-benzofuran-4-carboxylic acid - CAS 71641-10-6
Catalog: |
BB034441 |
Product Name: |
2-methyl-1-benzofuran-4-carboxylic acid |
CAS: |
71641-10-6 |
Synonyms: |
2-methyl-4-benzofurancarboxylic acid; 2-methyl-1-benzofuran-4-carboxylic acid |
IUPAC Name: | 2-methyl-1-benzofuran-4-carboxylic acid |
Description: | 2-methyl-1-benzofuran-4-carboxylic acid (CAS# 71641-10-6 ) is a useful research chemical. |
Molecular Weight: | 176.171 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | CC1=CC2=C(C=CC=C2O1)C(=O)O |
InChI: | InChI=1S/C10H8O3/c1-6-5-8-7(10(11)12)3-2-4-9(8)13-6/h2-5H,1H3,(H,11,12) |
InChI Key: | UULUUZLKDVRRQD-UHFFFAOYSA-N |
LogP: | 2.43940 |
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-2020264405-A1 | Rho kinase inhibitors and compositions and methods of use thereof | 20190628 |
AU-2017269256-A1 | Aminoacylindazole immunomodulators for treatment of autoimmune diseases | 20160523 |
CA-3025810-A1 | Aminoacylindazole immunomodulators for treatment of autoimmune diseases | 20160523 |
CN-109475530-A | For treating the aminoacyl indazole immunomodulator of autoimmune disease | 20160523 |
EP-3463341-A1 | Aminoacylindazole immunomodulators for treatment of autoimmune diseases | 20160523 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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