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4108-61-6

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Basic Information
CAS No.: 4108-61-6
Name: 7-Amino-3-phenyl-2-benzopyrone
Molecular Structure:
Molecular Structure of 4108-61-6 (7-Amino-3-phenyl-2-benzopyrone)
Formula: C15H11NO2
Molecular Weight: 237.258
Synonyms: 2H-1-Benzopyran-2-one,7-amino-3-phenyl-;2H-1-Benzopyran-2-one, 7-amino-3-phenyl-;7-amino-3-phenyl-chromen-2-one;Coumarin 10;
EINECS: 223-887-8
Density: 1.306 g/cm3
Boiling Point: 472.8 °C at 760 mmHg
Flash Point: 286.4 °C
PSA: 56.23000
LogP: 3.62340
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Specification

This chemical is called 7-Amino-3-phenyl-2-benzopyrone, and it can also be named as 2H-1-benzopyran-2-one, 7-amino-3-phenyl-. With the molecular formula of C15H11NO2, its molecular weight is 237.25. The CAS registry number of this chemical is 4108-61-6.

Other characteristics of the 7-Amino-3-phenyl-2-benzopyrone can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 70.67; (6)ACD/BCF (pH 7.4): 70.68; (7)ACD/KOC (pH 5.5): 733.26; (8)ACD/KOC (pH 7.4): 733.37; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 68.44 cm3; (15)Molar Volume: 181.5 cm3; (16)Polarizability: 27.13×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 286.4 °C; (20)Enthalpy of Vaporization: 73.58 kJ/mol; (21)Boiling Point: 472.8 °C at 760 mmHg; (22)Vapour Pressure: 4.15E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C/2Oc1cc(ccc1\C=C\2c3ccccc3)N
2.InChI: InChI=1/C15H11NO2/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9H,16H2
3.InChIKey: IJCLOOKYCQWSJA-UHFFFAOYAA