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5448-45-3

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Basic Information
CAS No.: 5448-45-3
Name: 4-BENZYLOXY-2-HYDROXY-BENZOIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 5448-45-3 (4-BENZYLOXY-2-HYDROXY-BENZOIC ACID)
Formula: C14H12O4
Molecular Weight: 244.247
Synonyms: 4-(Benzyloxy)-2-hydroxybenzoic acid;
Density: 1.319 g/cm3
Melting Point: 180-181.5 °C(Solv: benzene (71-43-2))
Boiling Point: 436.2 °C at 760 mmHg
Flash Point: 168.4 °C
PSA: 66.76000
LogP: 2.66940
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Specification

The Benzoicacid, 2-hydroxy-4-(phenylmethoxy)-, with the CAS registry number 5448-45-3, is also known as 4-(Benzyloxy)-2-hydroxybenzoic acid. This chemical's molecular formula is C14H12O4 and molecular weight is 244.2427. What's more, its IUPAC name is called 2-Hydroxy-4-phenylmethoxybenzoic acid.

Physical properties about Benzoicacid, 2-hydroxy-4-(phenylmethoxy)- are: (1)ACD/LogP: 3.90; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.83; (8)ACD/KOC (pH 7.4): 2.25; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 66.23 cm3; (15)Molar Volume: 185 cm3; (16)Surface Tension: 59.1 dyne/cm; (17)Density: 1.319 g/cm3; (18)Flash Point: 168.4 °C; (19)Enthalpy of Vaporization: 73 kJ/mol; (20)Boiling Point: 436.2 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccc(OCc1ccccc1)cc2O
(2) InChI: InChI=1/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)
(3) InChIKey: JHMFYEFDCDOWFB-UHFFFAOYAZ