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67249-02-9

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Basic Information
CAS No.: 67249-02-9
Name: (2E)-3-[4-(Acetylamino)phenyl]-2-propenoic acid
Article Data: 11
Molecular Structure:
Molecular Structure of 67249-02-9 ((2E)-3-[4-(Acetylamino)phenyl]-2-propenoic acid)
Formula: C11H11NO3
Molecular Weight: 205.213
Synonyms: 2-propenoic acid, 3-[4-(acetylamino)phenyl]-, (2E)-;(2E)-3-[4-(acetylamino)phenyl]prop-2-enoic acid;
Density: 1.297 g/cm3
Boiling Point: 470.9 °C at 760 mmHg
Flash Point: 238.6 °C
PSA: 69.89000
LogP: 2.39230
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Specification

The CAS register number of (2E)-3-[4-(Acetylamino)phenyl]-2-propenoic acid is 67249-02-9. It also can be called as 2-propenoic acid, 3-[4-(acetylamino)phenyl]-, (2E)- and the systematic name about this chemical is (2E)-3-[4-(acetylamino)phenyl]prop-2-enoic acid. The molecular formula about this chemical is C11H11NO3 and the molecular weight is 205.21.

Physical properties about (2E)-3-[4-(Acetylamino)phenyl]-2-propenoic acid are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 0.11; (3)ACD/LogD (pH 7.4): -1.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.03; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 57.97 cm3; (14)Molar Volume: 158.1 cm3; (15)Polarizability: 22.98x10-24cm3; (16)Surface Tension: 57.6 dyne/cm; (17)Enthalpy of Vaporization: 77.28 kJ/mol; (18)Boiling Point: 470.9 °C at 760 mmHg; (19)Vapour Pressure: 1.13E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)\C=C\C(=O)O)C
(2)InChI: InChI=1/C11H11NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-4+
(3)InChIKey: WGMFHSADKZJPGR-QPJJXVBHBC
(4)Std. InChI: InChI=1S/C11H11NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h2-7H,1H3,(H,12,13)(H,14,15)/b7-4+
(5)Std. InChIKey: WGMFHSADKZJPGR-QPJJXVBHSA-N