CAS No.59239-44-0,1-PENTENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59239-44-0
Name:	1-PENTENYLBORONIC ACID
Article Data:	7

Formula:	C₅H₁₁BO₂
Molecular Weight:	113.952
Synonyms:	Boronicacid, (1E)-1-pentenyl- (9CI);Boronic acid, 1-pentenyl-, (E)-;(E)-1-Pentenylboronic acid;
Density:	0.936 g/cm³
Melting Point:	100-105 °C (lit.)
Boiling Point:	209.9 °C at 760 mmHg
Flash Point:	80.7 °C
PSA:	40.46000
LogP:	0.35470

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Specification

The Boronic acid, B-(1E)-1-penten-1-yl-, with the CAS registry number of 59239-44-0, is also known as Boronicacid, (1E)-1-pentenyl- (9CI). This chemical's molecular formula is C₅H₁₁BO₂ and molecular weight is 113.95. What's more, its systematic name is called (1E)-Pent-1-en-1-ylboronic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with water.

Physical properties about Boronic acid, B-(1E)-1-penten-1-yl- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.26; (6)ACD/BCF (pH 7.4): 20.18; (7)ACD/KOC (pH 5.5): 299.82; (8)ACD/KOC (pH 7.4): 298.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 31.76 cm³; (15)Molar Volume: 121.6 cm³; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.936 g/cm³; (18)Flash Point: 80.7 °C; (19)Enthalpy of Vaporization: 51.9 kJ/mol; (20)Boiling Point: 209.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0452 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)/C=C/CCC
(2) InChI: InChI=1/C5H11BO2/c1-2-3-4-5-6(7)8/h4-5,7-8H,2-3H2,1H3/b5-4+
(3) InChIKey: SYKWJOZHNDPWIM-SNAWJCMRBB