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246135-55-7

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Basic Information
CAS No.: 246135-55-7
Name: 3-(1H-IMIDAZOL-2-YLAMINO)-BENZOIC ACID
Molecular Structure:
Molecular Structure of 246135-55-7 (3-(1H-IMIDAZOL-2-YLAMINO)-BENZOIC ACID)
Formula: C10H9N3O2
Molecular Weight: 203.2
Synonyms: 3-(1H-IMIDAZOL-2-YLAMINO)-BENZOIC ACID;Benzoic acid, 3-(1H-imidazol-2-ylamino)- (9CI)
Density: 1.456 g/cm3
Boiling Point: 474.441 °C at 760 mmHg
Flash Point: 240.734 °C
PSA: 78.01000
LogP: 1.92450
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    Benzoic acid,3-(1H-imidazol-2-ylamino)-

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  • 3-(1H-Imidazol-2-ylamino)benzoic acid

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    3-(1H-Imidazol-2-ylamino)benzoic acid

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    Molecular Formula: C10H9N3O2 Formula Weight: 203.19736

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Specification

The Benzoic acid,3-(1H-imidazol-2-ylamino)- is a organic compound with the formula C10H9N3O2. It belongs to the product category of Aminoacid. With the CAS registry number 246135-55-7, its systematic name is called 3-(1H-imidazol-2-ylamino)benzoic acid.

Physical properties of Benzoic acid,3-(1H-imidazol-2-ylamino)-: (1)ACD/LogP: 1.28; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.719; (10)Molar Refractivity: 55.082 cm3; (11)Molar Volume: 139.55 cm3; (12)Surface Tension: 79.348 dyne/cm; (13)Density: 1.456 g/cm3; (14)Flash Point: 240.734 °C; (15)Enthalpy of Vaporization: 77.72 kJ/mol; (16)Boiling Point: 474.441 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c1cc(cc(c1)Nc2[nH]ccn2)C(=O)O
(2)InChI:InChI=1/C10H9N3O2/c14-9(15)7-2-1-3-8(6-7)13-10-11-4-5-12-10/h1-6H,(H,14,15)(H2,11,12,13)
(3)InChIKey:JEGXEIJQLIWESF-UHFFFAOYAG