-
Name
3-[4-(Acetyloxy)-3,5-dimethoxyphenyl]-2-propenoic acid
- EINECS
- CAS No. 90985-68-5
- Article Data18
- CAS DataBase
- Density 1.263 g/cm3
- Solubility
- Melting Point 188-193 °C
- Formula C13H14O6
- Boiling Point 385 °C at 760 mmHg
- Molecular Weight 266.251
- Flash Point 142.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-[4-(Acetyloxy)-3,5-dimethoxyphenyl]-2-propenoic acid;
- PSA 82.06000
- LogP 1.72690
3-[4-(Acetyloxy)-3,5-dimethoxycinnamic acid Specification
The CAS register number of 3-[4-(Acetyloxy)-3,5-dimethoxycinnamic acid is 90985-68-5. It also can be called as 3-[4-(Acetyloxy)-3,5-dimethoxyphenyl]-2-propenoic acid and the systematic name about this chemical is 3-(4-acetoxy-3,5-dimethoxy-phenyl)prop-2-enoic acid. The molecular formula about this chemical is C13H14O6 and molecular weight is 266.25.
Physical properties about 3-[4-(Acetyloxy)-3,5-dimethoxycinnamic acid are: (1)ACD/LogP: 1.50; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.3; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 82.06Å2; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 68.4 cm3; (12)Molar Volume: 210.6 cm3; (13)Polarizability: 27.11x10-24cm3; (14)Surface Tension: 45.4 dyne/cm; (15)Enthalpy of Vaporization: 66.85 kJ/mol; (16)Boiling Point: 385 °C at 760 mmHg; (17)Vapour Pressure: 1.29E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)Oc1c(cc(cc1OC)C=CC(=O)O)OC
(2)InChI: InChI=1/C13H14O6/c1-8(14)19-13-10(17-2)6-9(4-5-12(15)16)7-11(13)18-3/h4-7H,1-3H3,(H,15,16)
(3)InChIKey: ATOGPJBNWPDOAB-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H14O6/c1-8(14)19-13-10(17-2)6-9(4-5-12(15)16)7-11(13)18-3/h4-7H,1-3H3,(H,15,16)
(5)Std. InChIKey: ATOGPJBNWPDOAB-UHFFFAOYSA-N
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