Ethyl 4-cyanobenzoate - CAS 7153-22-2
Catalog: |
BB034420 |
Product Name: |
Ethyl 4-cyanobenzoate |
CAS: |
7153-22-2 |
Synonyms: |
ethyl 4-cyanobenzoate |
IUPAC Name: | ethyl 4-cyanobenzoate |
Description: | Ethyl 4-cyanobenzoate (CAS# 7153-22-2) is a useful research chemical. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3 |
InChI Key: | JLSSWDFCYXSLQX-UHFFFAOYSA-N |
Boiling Point: | 300.5 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
Appearance: | White to light yellow crystalline powder |
MDL: | MFCD00001824 |
LogP: | 1.73498 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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