3-Amino-2-methoxybenzoic acid - CAS 861306-04-9
Catalog: |
BB037831 |
Product Name: |
3-Amino-2-methoxybenzoic acid |
CAS: |
861306-04-9 |
Synonyms: |
3-amino-2-methoxybenzoic acid |
IUPAC Name: | 3-amino-2-methoxybenzoic acid |
Description: | 3-Amino-2-methoxybenzoic acid (CAS# 861306-04-9) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=C(C=CC=C1N)C(=O)O |
InChI: | InChI=1S/C8H9NO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | ZBQFWVIYNLHFMO-UHFFFAOYSA-N |
MDL: | MFCD09701221 |
LogP: | 1.55680 |
GHS Hazard Statement: | H302 (100%): 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-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021097256-A1 | Cxcr4 antagonist peptides | 20191114 |
WO-2021081110-A2 | Peptides and use thereof | 20191022 |
WO-2021030687-A1 | Therapeutic peptides | 20190815 |
PMID | Publication Date | Title | Journal |
20718458 | 20100909 | A calorimetric and computational study of aminomethoxybenzoic acids | The journal of physical chemistry. B |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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