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Benzoic acid,3-methoxy-4-propoxy-

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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 Molecular Structure of 3535-32-8 (3-METHOXY-4-PROPOXY-BENZOIC ACID) Hazard Symbols N/A
Synonyms

3-Methoxy-4-propoxybenzoic acid;3-Methoxy-4-propoxy-benzoic acid;

Article Data 2

Benzoic acid,3-methoxy-4-propoxy- Specification

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

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