m-Anisic acid - CAS 586-38-9
Catalog: |
BB030111 |
Product Name: |
m-Anisic acid |
CAS: |
586-38-9 |
Synonyms: |
3-methoxybenzoic acid |
IUPAC Name: | 3-methoxybenzoic acid |
Description: | 3-Methoxybenzoic acid (CAS# 586-38-9) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C(=O)O |
InChI: | InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
InChI Key: | XHQZJYCNDZAGLW-UHFFFAOYSA-N |
Boiling Point: | 170-172 °C (10 mmHg) |
Melting Point: | 103-108 °C |
Purity: | 98 % |
Density: | 1.207 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002499 |
LogP: | 1.39340 |
Vapor Pressure: | 0.0015 [mmHg] |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336710-A | Minoxidil-3-methoxybenzoate crystal form for treating alopecia and preparation method thereof | 20210708 |
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PMID | Publication Date | Title | Journal |
21810122 | 20110901 | The versatility of the fungal cytochrome P450 monooxygenase system is instrumental in xenobiotic detoxification | Molecular microbiology |
21754290 | 20110501 | Tetra-kis-(μ-3-meth-oxy-benzoato-κO:O)bis[acetonitrilecopper(II)] | Acta crystallographica. Section E, Structure reports online |
21754122 | 20110401 | 4-(Benz-yloxy)phenyl 4-hexa-dec-yloxy-3-meth-oxy-benzoate | Acta crystallographica. Section E, Structure reports online |
21761726 | 20110401 | [Studies on constituents of cultures of fungus Phellinus igniarius] | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica |
20851471 | 20110301 | Anti-Leishmanial activity of homo- and heteroleptic bismuth(III) carboxylates | Journal of inorganic biochemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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