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CAS No.: | 2764-73-0 |
---|---|
Name: | nonacosan-15-one |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C29H58O |
Molecular Weight: | 422.779 |
Synonyms: | nonacosan-15-one;15-NONACOSANONE |
EINECS: | 220-434-6 |
Density: | 0.838 g/cm3 |
Melting Point: | 65-66 °C |
Boiling Point: | 476.9 °Cat760mmHg |
Flash Point: | 46.4 °C |
PSA: | 17.07000 |
LogP: | 10.73790 |
This chemical is called 15-Nonacosanone, and its systematic name is nonacosan-15-one. With the molecular formula of C29H58O, its molecular weight is 422.77022. The CAS registry number of this chemical is 2764-73-0.
Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 13.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.66; (4)ACD/LogD (pH 7.4): 13.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 136.43 cm3; (15)Molar Volume: 504.3 cm3; (16)Polarizability: 54.08×10-24 cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 0.838 g/cm3; (19)Flash Point: 46.4 °C; (20)Enthalpy of Vaporization: 74.07 kJ/mol; (21)Boiling Point: 476.9 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
2.InChI: InChI=1/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
3.InChIKey: FVKQALGTGOKSSK-UHFFFAOYAR
4.Std. InChI: InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
5.Std. InChIKey: FVKQALGTGOKSSK-UHFFFAOYSA-N