Methyl 4-(cyanoacetyl)benzoate - CAS 69316-08-1
Catalog: |
BB033769 |
Product Name: |
Methyl 4-(cyanoacetyl)benzoate |
CAS: |
69316-08-1 |
Synonyms: |
methyl 4-(2-cyanoacetyl)benzoate |
IUPAC Name: | methyl 4-(2-cyanoacetyl)benzoate |
Description: | Methyl 4-(cyanoacetyl)benzoate (CAS# 69316-08-1) is a useful research chemical. |
Molecular Weight: | 203.19 |
Molecular Formula: | C11H9NO3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)C(=O)CC#N |
InChI: | InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3 |
InChI Key: | CTZGTFNYYYZXTE-UHFFFAOYSA-N |
Boiling Point: | 397.7 °C at 760 mmHg |
Density: | 1.204 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00015378 |
LogP: | 1.56958 |
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 |
Publication Number | Title | Priority Date |
WO-2021013721-A1 | 5-amino substituted pyrazoles and triazoles as pest control agents | 20190722 |
WO-2020083733-A1 | Pesticidal compounds | 20181024 |
CN-113166070-A | Pesticidal compounds | 20181024 |
EP-3870567-A1 | Pesticidal compounds | 20181024 |
KR-20210080482-A | pesticide compound | 20181024 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.058243149 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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