CAS No.18664-39-6,4-Cyanocinnamic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18664-39-6
Name:	4-Cyanocinnamic acid
Article Data:	53

Formula:	C₁₀H₇NO₂
Molecular Weight:	173.171
Synonyms:	Cinnamicacid, p-cyano- (8CI);NSC 134574;p-Cyanocinnamic acid;
EINECS:	242-484-8
Density:	1.26 g/cm³
Melting Point:	245-248 °C
Boiling Point:	380.4 °C at 760 mmHg
Flash Point:	183.9 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	61.09000
LogP:	1.65608

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Specification

The 2-Propenoic acid,3-(4-cyanophenyl)-, with the CAS registry number 18664-39-6, is also known as NSC134574. Its EINECS registry number is 242-484-8. This chemical's molecular formula is C₁₀H₇NO₂ and molecular weight is 173.16808. Its IUPAC name is called (E)-3-(4-cyanophenyl)prop-2-enoic acid.

Physical properties of 2-Propenoic acid,3-(4-cyanophenyl)-: (1)ACD/LogP: 1.98; (2)ACD/LogD (pH 5.5): -0.03; (3)ACD/LogD (pH 7.4): -1.55; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.76; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 46.76 cm³; (13)Molar Volume: 137.2 cm³; (14)Surface Tension: 59.4 dyne/cm; (15)Density: 1.26 g/cm³; (16)Flash Point: 183.9 °C; (17)Enthalpy of Vaporization: 66.31 kJ/mol; (18)Boiling Point: 380.4 °C at 760 mmHg; (19)Vapour Pressure: 1.82E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)C#N
(2)Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)C#N
(3)InChI: InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+
(4)InChIKey: USVZQKYCNGNRBV-AATRIKPKSA-N