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CAS No.: | 16909-78-7 |
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Name: | 2-hydroxy-4-(2-hydroxyethoxy)benzophenone |
Molecular Structure: | |
Formula: | C15H14O4 |
Molecular Weight: | 258.274 |
Synonyms: | Benzophenone,2-hydroxy-4-(2-hydroxyethoxy)- (7CI,8CI);2-Hydroxy-4-(2-hydroxyethoxy)benzophenone;2-Hydroxy-4-(2'-hydroxyethoxy)benzophenone;4-(2-Hydroxyethoxy)-2-hydroxybenzophenone; |
EINECS: | 240-958-9 |
Density: | 1.266 g/cm3 |
Melting Point: | 92 °C |
Boiling Point: | 445.456 °C at 760 mmHg |
Flash Point: | 168.605 °C |
PSA: | 66.76000 |
LogP: | 1.99430 |
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The Methanone,[2-hydroxy-4-(2-hydroxyethoxy)phenyl]phenyl-, with the CAS registry number 16909-78-7, is also known as Benzophenone, 2-hydroxy-4-(2-hydroxyethoxy)-. Its EINECS registry number is 240-958-9. This chemical's molecular formula is C15H14O4 and molecular weight is 258.27. What's more, both its IUPAC name and systematic name are the same which is called [2-Hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone.
Physical properties about Methanone,[2-hydroxy-4-(2-hydroxyethoxy)phenyl]phenyl- are: (1)ACD/LogP: 3.072; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 126.09; (6)ACD/BCF (pH 7.4): 71.14; (7)ACD/KOC (pH 5.5): 1106.73; (8)ACD/KOC (pH 7.4): 624.40; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.76 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 70.774 cm3; (15)Molar Volume: 203.993 cm3; (16)Polarizability: 28.057×10-24cm3; (17)Surface Tension: 54.83 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 168.605 °C; (20)Enthalpy of Vaporization: 74.136 kJ/mol; (21)Boiling Point: 445.456 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(OCCO)cc1O)c2ccccc2
(2) InChI: InChI=1S/C15H14O4/c16-8-9-19-12-6-7-13(14(17)10-12)15(18)11-4-2-1-3-5-11/h1-7,10,16-17H,8-9H2
(3) InChIKey: SCMSRHIBVBIECI-UHFFFAOYSA-N