Bookmark and Share
1 hit(s) found in 0.07 seconds
Search term: OUZCDRGUTZLAGO-UHFFFAOYAF
Found by InChIKey (full match)
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Image
  • Spectrum
  • CIF
  • Identifier
  • Description
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 21111869
Empirical Formula: C11H14O3
Molecular Weight: 194.2271
Nominal Mass: 194 Da
Average Mass: 194.2271 Da
Monoisotopic Mass: 194.094294 Da
Systematic Name: ethyl 2-ethoxybenzoate
SMILES: CCOc1ccccc1C(=O)OCC
InChI: InChI=1/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2​,1-2H3
InChIKey: OUZCDRGUTZLAGO-UHFFFAOYAF
Std. InChI: InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H​2,1-2H3
Std. InChIKey: OUZCDRGUTZLAGO-UHFFFAOYSA-N
Associated Data Sources and Commercial Suppliers Filter
Patents
PubMed Articles
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

benzoic a​cid, 2-et​hoxy-, et​hyl ester

Ethyl 2-e​thoxybenz​oate

6290-24-0 [RN]

ACD/LogP: 3.10 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.1 ACD/LogD (pH 7.4): 3.1
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 3 #H bond donors: 0
#Freely Rotating Bonds: 5 Polar Surface Area: 35.53 Å2
Index of Refraction: 1.497 Molar Refractivity: 53.97 cm3
Molar Volume: 184.3 cm3 Polarizability: 21.39 10-24cm3
Surface Tension: 34.9 dyne/cm Density: 1.053 g/cm3
Flash Point: 110.3 °C Enthalpy of Vaporization: 48.83 kJ/mol
Boiling Point: 251 °C at 760 mmHg Vapour Pressure: 0.021 mmHg at 25°C