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132465-11-3

Basic Information
CAS No.: 132465-11-3
Name: Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate
Molecular Structure:
Molecular Structure of 132465-11-3 (Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate)
Formula: C19H15NO4
Molecular Weight: 321.33
Synonyms: CINNAMYL-3,4-DIHYDROXY-ALPHA-CYANOCINNAMATE;CDC;(E,Z)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenyl-2-propenyl ester;Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate CDC
EINECS:
Density: 1.326 g/cm3
Melting Point:
Boiling Point: 583.9 °C at 760 mmHg
Flash Point: 307 °C
Solubility:
Appearance:
Hazard Symbols: Xi,N
Risk Codes: 43-50/53
Safety: 36/37-60-61
Transport Information:
PSA: 90.55000
LogP: 3.26138
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Specification

The Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate is an organic compound with the formula C19H15NO4. The systematic name of this chemical is (2E)-3-phenylprop-2-en-1-yl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate. With the CAS registry number 132465-11-3, it is also named as (E,Z)-2-Cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenyl-2-propenyl ester.

Physical properties about Cinnamyl 3,4-dihydroxy-alpha-cyanocinnamate are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.05; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 122.42; (5)ACD/BCF (pH 7.4): 114.52; (6)ACD/KOC (pH 5.5): 1086.41; (7)ACD/KOC (pH 7.4): 1016.32; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 90.55 Å2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 92.16 cm3; (14)Molar Volume: 242.3 cm3; (15)Polarizability: 36.53×10-24cm3; (16)Surface Tension: 64.7 dyne/cm; (17)Density: 1.326 g/cm3; (18)Flash Point: 307 °C; (19)Enthalpy of Vaporization: 90.5 kJ/mol; (20)Boiling Point: 583.9 °C at 760 mmHg; (21)Vapour Pressure: 3.1E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2ccc(\C=C(/C#N)C(=O)OC/C=C/c1ccccc1)cc2O
(2)InChI: InChI=1/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
(3)InChIKey: XGHYFEJMJXGPGN-UYHGDYIZBP
(4)Std. InChI: InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
(5)Std. InChIKey: XGHYFEJMJXGPGN-UYHGDYIZSA-N