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545442-98-6

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Basic Information
CAS No.: 545442-98-6
Name: 3-(3,4-Dihydroxy-phenyl)-propionaldehyde
Article Data: 1
Molecular Structure:
Molecular Structure of 545442-98-6 (3-(3,4-Dihydroxy-phenyl)-propionaldehyde)
Formula: C9H10O3
Molecular Weight: 166.17
Synonyms: 3-(3,4-Dihydroxyphenyl)propanal;
Density: 1.25 g/cm3
Boiling Point: 338.325 °C at 760 mmHg
Flash Point: 172.616 °C
PSA: 57.53000
LogP: 1.22930
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    545442-98-6

    3-(3,4-Dihydroxy-phenyl)-propionaldehyde

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  • 3-(3,4-Dihydroxy-phenyl)-propionaldehyde

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    3-(3,4-Dihydroxy-phenyl)-propionaldehyde

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • 3-(3,4-DIHYDROXY-PHENYL)-PROPIONALDEHYDE

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    3-(3,4-DIHYDROXY-PHENYL)-PROPIONALDEHYDE

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:clear liquid Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as primary a

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  • 3-(3,4-DIHYDROXY-PHENYL)-PROPIONALDEHYDE

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    3-(3,4-DIHYDROXY-PHENYL)-PROPIONALDEHYDE

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    3-(3,4-DIHYDROXY-PHENYL)-PROPIONALDEHYDEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The chemical with CAS registry number of 545442-98-6 is named 3-(3,4-Dihydroxy-phenyl)-propionaldehyde. Its systematic name is 3-(3,4-Dihydroxyphenyl)propanal. In addition, the formula is C9H10O3 and the molecular weight is 166.17.

Physical properties about this chemical are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.391; (4)ACD/LogD (pH 7.4): 0.388; (5)ACD/BCF (pH 5.5): 1.168; (6)ACD/BCF (pH 7.4): 1.159; (7)ACD/KOC (pH 5.5): 38.885; (8)ACD/KOC (pH 7.4): 38.595; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.53Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 44.385 cm3; (15)Molar Volume: 132.936 cm3; (16)Polarizability: 17.596×10-24cm3; (17)Surface Tension: 55.329 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 172.616 °C; (20)Enthalpy of Vaporization: 60.471 kJ/mol; (21)Boiling Point: 338.325 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: c1cc(c(cc1CCC=O)O)O
2. InChI: InChI=1/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-6,11-12H,1-2H2
3. InChIKey: HVIBSLHISRRALT-UHFFFAOYAU
4. Std. InChI: InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-6,11-12H,1-2H2
5. Std. InChIKey: HVIBSLHISRRALT-UHFFFAOYSA-N