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CAS No.: | 214150-74-0 |
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Name: | 1-Decarboxy-3-oxo-ceathic acid |
Molecular Structure: | |
Formula: | C29H44O3 |
Molecular Weight: | 440.66 |
Synonyms: | 1-Decarboxy-3-oxo-ceathic acid; |
Density: | 1.073 g/cm3 |
Boiling Point: | 535.4 °C at 760 mmHg |
Flash Point: | 291.7 °C |
PSA: | 54.37000 |
LogP: | 6.90760 |
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The 1-Decarboxy-3-oxo-ceanothic acid, with the CAS registry number 214150-74-0, is also known as 1-Decarboxy-3-oxo-ceathic acid. This chemical's molecular formula is C29H44O3 and molecular weight is 440.66.
Physical properties of 1-Decarboxy-3-oxo-ceanothic acid are: (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 127.1 cm3; (9)Molar Volume: 410.5 cm3; (10)Polarizability: 50.38×10-24cm3; (11)Surface Tension: 39.3 dyne/cm; (12)Density: 1.073 g/cm3; (13)Flash Point: 291.7 °C; (14)Enthalpy of Vaporization: 88.8 kJ/mol; (15)Boiling Point: 535.4 °C at 760 mmHg; (16)Vapour Pressure: 6.91E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(=O)C5(C)C)C)C)C(=O)O
(2)InChI: InChI=1S/C29H44O3/c1-17(2)18-10-13-29(24(31)32)15-14-27(6)19(23(18)29)8-9-21-26(5)16-22(30)25(3,4)20(26)11-12-28(21,27)7/h18-21,23H,1,8-16H2,2-7H3,(H,31,32)/t18-,19+,20?,21+,23?,26-,27?,28+,29?/m0/s1
(3)InChIKey: NUDCZUBEFGYVSS-OCBSILMYSA-N