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15419-94-0

Basic Information
CAS No.: 15419-94-0
Name: 2-Hydroxy-4-acryloyloxybenzophenone
Molecular Structure:
Molecular Structure of 15419-94-0 (2-Hydroxy-4-acryloyloxybenzophenone)
Formula: C16H12O4
Molecular Weight: 268.26
Synonyms: Acrylicacid, 4-ester with 2,4-dihydroxybenzophenone (7CI,8CI);Benzophenone,2,4-dihydroxy-, 4-acrylate (8CI);2-Hydroxy-4-(acryloyloxy)benzophenone;4-Benzoyl-3-hydroxyphenyl acrylate;BP 1A;
Density: 1.246 g/cm3
Melting Point: 30 °C
Boiling Point: 427 °C at 760 mmHg
Flash Point: 159.1 °C
PSA: 63.60000
LogP: 2.71460
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Specification

The 2-Hydroxy-4-acryloyloxybenzophenone, with the CAS registry number 15419-94-0, is also known as 2-Propenoic acid 4-benzoyl-3-hydroxyphenyl ester. This chemical's molecular formula is C16H12O4 and molecular weight is 268.26. What's more, both its IUPAC name and systematic name are the same which is called (4-Benzoyl-3-hydroxyphenyl) prop-2-enoate.

Physical properties about this chemical are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.6; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 320.41; (6)ACD/BCF (pH 7.4): 83.95; (7)ACD/KOC (pH 5.5): 2141.26; (8)ACD/KOC (pH 7.4): 561.05; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 73.62 cm3; (15)Molar Volume: 215.2 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.246 g/cm3; (18)Flash Point: 159.1 °C; (19)Enthalpy of Vaporization: 70.83 kJ/mol; (20)Boiling Point: 427 °C at 760 mmHg; (21)Vapour Pressure: 6.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(OC(=O)\C=C)cc1O)c2ccccc2
(2)InChI: InChI=1/C16H12O4/c1-2-15(18)20-12-8-9-13(14(17)10-12)16(19)11-6-4-3-5-7-11/h2-10,17H,1H2
(3)InChIKey: LJWQJECMFUGUDV-UHFFFAOYAH