m-Anisaldehyde - CAS 591-31-1
Catalog: |
BB030282 |
Product Name: |
m-Anisaldehyde |
CAS: |
591-31-1 |
Synonyms: |
3-methoxybenzaldehyde |
IUPAC Name: | 3-methoxybenzaldehyde |
Description: | m-Anisaldehyde (CAS# 591-31-1) is a reagent used in the synthesis of substrate inhibitors of acylated quinoline N-oxides. Also used in organic synthesis involving potent heterodimeric modulators of breast cancer resistance protein. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical SMILES: | COC1=CC=CC(=C1)C=O |
InChI: | InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3 |
InChI Key: | WMPDAIZRQDCGFH-UHFFFAOYSA-N |
Boiling Point: | 143 °C (50 mmHg) |
Purity: | 95 % |
Density: | 1.119 g/cm3 |
Solubility: | 3010 mg/L at 25 °C (est) |
Appearance: | Clear brown liquid. |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003361 |
LogP: | 1.50770 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22876607 | 20120701 | Antitumor and antimicrobial activities of some hetero aromatic benzofurans derived from naturally occurring visnagin | Acta poloniae pharmaceutica |
22589881 | 20120401 | 3-(3-Meth-oxy-benzyl-idene)chroman-4-one | Acta crystallographica. Section E, Structure reports online |
22221363 | 20120101 | Food protective effects of Periploca sepium oil and its active component against stored food mites | Journal of food protection |
22242164 | 20120101 | Hydroxybenzothiazoles as new nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1) | PloS one |
21669279 | 20111001 | Interesting anticandidal effects of anisic aldehydes on growth and proton-pumping-ATPase-targeted activity | Microbial pathogenesis |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.052429494 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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