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708967-62-8

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Basic Information
CAS No.: 708967-62-8
Name: 4-(AMINOETHYL)SALICYLIC ACID
Molecular Structure:
Molecular Structure of 708967-62-8 (4-(AMINOETHYL)SALICYLIC ACID)
Formula: C9H11NO3
Molecular Weight: 181.191
Synonyms: 4-(2-Aminoethyl)-2-hydroxybenzoic acid;4-(Aminoethyl)salicylic acid;4-(2-Amino-ethyl)-2-hydroxy-benzoic acid;
Density: 1.323 g/cm3
Boiling Point: 373.3 °C at 760 mmHg
Flash Point: 179.6 °C
PSA: 83.55000
LogP: 1.29190
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Specification

The Benzoic acid,4-(2-aminoethyl)-2-hydroxy-, with the CAS registry number 708967-62-8, is also known as 4-(Aminoethyl)salicylic acid. This chemical's molecular formula is C9H11NO3 and molecular weight is 181.19. What's more, its systematic name is 4-(2-Aminoethyl)-2-hydroxybenzoic acid.

Physical properties of Benzoic acid,4-(2-aminoethyl)-2-hydroxy- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 83.55 Å2; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 48.14 cm3; (13)Molar Volume: 136.8 cm3; (14)Polarizability: 19.08×10-24 cm3; (15)Surface Tension: 65.9 dyne/cm; (16)Density: 1.323 g/cm3; (17)Flash Point: 179.6 °C; (18)Enthalpy of Vaporization: 65.47 kJ/mol; (19)Boiling Point: 373.3 °C at 760 mmHg; (20)Vapour Pressure: 3.1E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1O)CCN
(2)InChI: InChI=1/C9H11NO3/c10-4-3-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,11H,3-4,10H2,(H,12,13)
(3)InChIKey: WOVJYCOXFSGLMS-UHFFFAOYAK