CAS No.215057-28-6,2,3-Dihydro-1-benzofuran-5-propanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	215057-28-6
Name:	2,3-Dihydro-1-benzofuran-5-propanoic acid
Article Data:	6

Formula:	C₁₁H₁₂O₃
Molecular Weight:	192.214
Synonyms:	3-(2,3-Dihydrobenzofuran-5-yl)propanoicacid;3-(2,3-Dihydrobenzofuran-5-yl)propionic acid;3-(2,3-Dihydrobenzofuran-5-yl)propionoic acid;UK 73689;
EINECS:	640-714-5
Density:	1.252 g/cm³
Melting Point:	95-97 °C
Boiling Point:	355.2 °C at 760 mmHg
Flash Point:	142.1 °C
PSA:	46.53000
LogP:	1.63870

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Specification

The systematic name of 2,3-Dihydro-1-benzofuran-5-propanoic acid is 3-(2,3-dihydro-1-benzofuran-5-yl)propanoic acid. With the CAS registry number 215057-28-6, it is also named as 5-Benzofuranpropanoicacid, 2,3-dihydro-. The product's categories are Fluorobenzene; Furans. In addition, its molecular formula is C₁₁H₁₂O₃ and molecular weight is 192.21.

The other characteristics of 2,3-Dihydro-1-benzofuran-5-propanoic acid can be summarized as: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.65; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 51.16 cm³; (15)Molar Volume: 153.5 cm³; (16)Polarizability: 20.28×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.252 g/cm³; (19)Flash Point: 142.1 °C; (20)Melting Point:95-97 °C; (21)Enthalpy of Vaporization: 63.34 kJ/mol; (22)Boiling Point: 355.2 °C at 760 mmHg; (23)Vapour Pressure: 1.17E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)CCc2cc1c(OCC1)cc2
(2)InChI: InChI=1/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13)
(3)InChIKey: DPQFYUVHQLRVGR-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H12O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1,3,7H,2,4-6H2,(H,12,13)
(5)Std. InChIKey: DPQFYUVHQLRVGR-UHFFFAOYSA-N