-
Name
Ethyl 8-allyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
- EINECS
- CAS No. 76360-63-9
- Article Data2
- CAS DataBase
- Density 1.325 g/cm3
- Solubility
- Melting Point
- Formula C19H17N3O4
- Boiling Point 467.144 °C at 760 mmHg
- Molecular Weight 351.362
- Flash Point 236.321 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms (6Z)-6-[ethoxy(hydroxy)methylidene]-2-phenyl-8-prop-2-enylpyrido[2,3-d]pyrimidine-5,7-dione;
- PSA 94.31000
- LogP 2.52680
Ethyl 8-allyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate Specification
The Ethyl 8-allyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate, with its CAS registry number 76360-63-9, has its IUPAC name of (6Z)-6-[ethoxy(hydroxy)methylidene]-2-phenyl-8-prop-2-enylpyrido[2,3-d]pyrimidine-5,7-dione. And this chemical has its molecular formula of C19H17N3O4 and molecular weight of 351.36.
Physical properties of Ethyl 8-allyl-5-hydroxy-7-oxo-2-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.968; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 497.61; (6)ACD/BCF (pH 7.4): 11.185; (7)ACD/KOC (pH 5.5): 2325.436; (8)ACD/KOC (pH 7.4): 52.269; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 92.62 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 93.353 cm3; (15)Molar Volume: 265.112 cm3; (16)Polarizability: 37.008×10-24cm3; (17)Surface Tension: 60.512 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 236.321 °C; (20)Enthalpy of Vaporization: 76.812 kJ/mol; (21)Boiling Point: 467.144 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CCOC(=O)c1c(c2cnc(nc2n(c1=O)CC=C)c3ccccc3)O
(2)InChI:InChI=1/C19H17N3O4/c1-3-10-22-17-13(15(23)14(18(22)24)19(25)26-4-2)11-20-16(21-17)12-8-6-5-7-9-12/h3,5-9,11,23H,1,4,10H2,2H3
(3)InChIKey:CEEHFWSNEHHQPJ-UHFFFAOYAM
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