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Name |
Benzoic acid,3-methoxy-4-propoxy- |
EINECS | N/A |
CAS No. | 3535-32-8 | Density | 1.148 g/cm3 |
PSA | 55.76000 | LogP | 2.18220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14O4 | Boiling Point | 330.2 °C at 760 mmHg |
Molecular Weight | 210.23 | Flash Point | 125.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Methoxy-4-propoxybenzoic acid;3-Methoxy-4-propoxy-benzoic acid; |
Article Data | 2 |
The Benzoic acid,3-methoxy-4-propoxy-, with the CAS registry number 3535-32-8, is also known as 3-Methoxy-4-propoxy-benzoic acid. This chemical's molecular formula is C11H14O4 and molecular weight is 210.23. What's more, its systematic name is 3-Methoxy-4-propoxybenzoic acid.
Physical properties of Benzoic acid,3-methoxy-4-propoxy- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 8.5; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75.25; (8)ACD/KOC (pH 7.4): 1.78; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 55.8 cm3; (15)Molar Volume: 182.9 cm3; (16)Polarizability: 22.12×10-24 cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.148 g/cm3; (19)Flash Point: 125.4 °C; (20)Enthalpy of Vaporization: 60.46 kJ/mol; (21)Boiling Point: 330.2 °C at 760 mmHg; (22)Vapour Pressure: 6.78E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCOC1=C(C=C(C=C1)C(=O)O)OC
(2)InChI: InChI=1S/C11H14O4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3,(H,12,13)
(3)InChIKey: PYAZCFCEURLPSU-UHFFFAOYSA-N