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CAS No.: | 681161-44-4 |
---|---|
Name: | 3'-hydroxybiphenyl-3-carboxamide |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C13H11NO2 |
Molecular Weight: | 213.236 |
Synonyms: | 3-(3-Hydroxyphenyl)benzamide; |
EINECS: | 1806241-263-5 |
Density: | 1.24 g/cm3 |
Boiling Point: | 452.5 °C at 760 mmHg |
Flash Point: | 227.5 °C |
PSA: | 63.32000 |
LogP: | 2.85840 |
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The [1,1'-Biphenyl]-3-carboxamide, 3'-hydroxy- has the CAS registry number 681161-44-4. This chemical's molecular formula is C13H11NO2 and molecular weight is 213.24. What's more, its systematic name is 3-(3-hydroxyphenyl)benzamide.
Physical properties of [1,1'-Biphenyl]-3-carboxamide, 3'-hydroxy- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 63.32 Å2; (9)Index of Refraction: 1.636; (10)Molar Refractivity: 61.65 cm3; (11)Molar Volume: 171.8 cm3; (12)Polarizability: 24.44×10-24cm3; (13)Surface Tension: 55.9 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 227.5 °C; (16)Enthalpy of Vaporization: 73.91 kJ/mol; (17)Boiling Point: 452.5 °C at 760 mmHg; (18)Vapour Pressure: 8.33E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)C(=O)N)c2cccc(c2)O
(2)Std. InChI: InChI=1S/C13H11NO2/c14-13(16)11-5-1-3-9(7-11)10-4-2-6-12(15)8-10/h1-8,15H,(H2,14,16)
(3)Std. InChIKey: BQRRGDDGUKOPJO-UHFFFAOYSA-N