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60698-32-0

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Basic Information
CAS No.: 60698-32-0
Name: 5-PHENOXY-2-FUROIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 60698-32-0 (5-PHENOXY-2-FUROIC ACID)
Formula: C11H8O4
Molecular Weight: 204.182
Synonyms: 2-Furoicacid, 5-phenoxy- (6CI);
Density: 1.314 g/cm3
Melting Point: 121-123 °C
Boiling Point: 355 °C at 760 mmHg
Flash Point: 168.5 °C
Hazard Symbols: CorrosiveC
PSA: 59.67000
LogP: 2.77010
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Specification

This chemical is called 2-Furancarboxylic acid, 5-phenoxy-, and its systematic name is 5-phenoxyfuran-2-carboxylic acid. With the molecular formula of C11H8O4, its molecular weight is 204.18. The CAS registry number of this chemical is 60698-32-0.

Other characteristics of the 2-Furancarboxylic acid, 5-phenoxy- can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.67 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 51.92 cm3; (14)Molar Volume: 155.3 cm3; (15)Polarizability: 20.58×10-24cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.314 g/cm3; (18)Flash Point: 168.5 °C; (19)Enthalpy of Vaporization: 63.32 kJ/mol; (20)Boiling Point: 355 °C at 760 mmHg; (21)Vapour Pressure: 1.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c2oc(Oc1ccccc1)cc
2.InChI: InChI=1/C11H8O4/c12-11(13)9-6-7-10(15-9)14-8-4-2-1-3-5-8/h1-7H,(H,12,13)
3.InChIKey: QQKXTFLRAZKJJO-UHFFFAOYAZ