Methyl 3-Cyano-4-methoxybenzoate - CAS 25978-74-9
Catalog: |
BB019089 |
Product Name: |
Methyl 3-Cyano-4-methoxybenzoate |
CAS: |
25978-74-9 |
Synonyms: |
3-cyano-4-methoxybenzoic acid methyl ester; methyl 3-cyano-4-methoxybenzoate |
IUPAC Name: | methyl 3-cyano-4-methoxybenzoate |
Description: | Methyl 3-Cyano-4-methoxybenzoate (CAS# 25978-74-9) is a useful research chemical. |
Molecular Weight: | 191.18 |
Molecular Formula: | C10H9NO3 |
Canonical SMILES: | COC1=C(C=C(C=C1)C(=O)OC)C#N |
InChI: | InChI=1S/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3 |
InChI Key: | RYJSFYBJYKFNCF-UHFFFAOYSA-N |
Boiling Point: | 339.7 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
MDL: | MFCD00052930 |
LogP: | 1.35348 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021124172-A1 | 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof | 20191218 |
AU-2016249437-A1 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
AU-2016249437-B2 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
CA-2983040-A1 | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
CA-2983040-C | Heterocyclic-imidazole compounds, pharmaceutical compositions thereof, preparation method therefor and use thereof | 20150417 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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