Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(4-Carboethoxy)phenyl propanal |
EINECS | N/A |
CAS No. | 151864-81-2 | Density | 1.083 g/cm3 |
PSA | 43.37000 | LogP | 1.99480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14O3 | Boiling Point | 312.448 °C at 760 mmHg |
Molecular Weight | 206.241 | Flash Point | 135.742 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(4-Carboethoxyphenyl)propanal;4-(3-Oxopropyl)benzoic acid ethyl ester;Ethyl 4-(3-oxopropyl)benzoate; |
Article Data | 17 |
The Benzoic acid,4-(3-oxopropyl)-, ethyl ester, with the CAS registry number 151864-81-2, has the IUPAC name of ethyl 4-(3-oxopropyl)benzoate. It belongs to the product categories of acidhalide.
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.212; (4)ACD/LogD (pH 7.4): 2.212; (5)ACD/BCF (pH 5.5): 28.253; (6)ACD/BCF (pH 7.4): 28.253; (7)ACD/KOC (pH 5.5): 380.438; (8)ACD/KOC (pH 7.4): 380.438; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 57.028 cm3; (15)Molar Volume: 190.475 cm3; (16)Polarizability: 22.608×10-24 cm3; (17)Surface Tension: 39.385 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 135.742 °C; (20)Enthalpy of Vaporization: 55.344 kJ/mol; (21)Boiling Point: 312.448 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C; (23)Exact Mass: 206.094294; (24)MonoIsotopic Mass: 206.094294; (25)Topological Polar Surface Area: 43.4; (26)Heavy Atom Count: 15; (27)Complexity: 205.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)CCC=O
(2)InChI: InChI=1S/C12H14O3/c1-2-15-12(14)11-7-5-10(6-8-11)4-3-9-13/h5-9H,2-4H2,1H3
(3)InChIKey: XDGGHWSPLSWRIX-UHFFFAOYSA-N