4'-Ethoxyacetophenone - CAS 1676-63-7
Catalog: |
BB012409 |
Product Name: |
4'-Ethoxyacetophenone |
CAS: |
1676-63-7 |
Synonyms: |
1-(4-ethoxyphenyl)ethanone; 1-(4-ethoxyphenyl)ethanone |
IUPAC Name: | 1-(4-ethoxyphenyl)ethanone |
Description: | 4'-Ethoxyacetophenone, an acetophenone derivative, has antibacterial activity. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CCOC1=CC=C(C=C1)C(=O)C |
InChI: | InChI=1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3 |
InChI Key: | YJFNFQHMQJCPRG-UHFFFAOYSA-N |
Boiling Point: | 268-269 ℃ / 758 mmHg |
Flash Point: | >235.4 °F |
Purity: | 97 % |
Density: | 1.016 g/cm3 |
Appearance: | Low melting solid or liquid |
Storage: | Sealed in dry. Keep cold. |
MDL: | MFCD00009095 |
LogP: | 2.28790 |
Refractive Index: | n20/D 1.475 (lit.) |
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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Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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