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| CAS No.: | 40165-87-5 |
|---|---|
| Name: | 3-HYDROXYNONANOIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H18O3 |
| Molecular Weight: | 174.24 |
| Synonyms: | (?à)-3-Hydroxynonanoic acid;b-Hydroxynonanoic acid; |
| Density: | 1.027 g/cm3 |
| Boiling Point: | 303.2 °C at 760 mmHg |
| Flash Point: | 151.4 °C |
| PSA: | 57.53000 |
| LogP: | 1.79240 |
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Specification
This chemical is called Nonanoic acid,3-hydroxy-, and its systematic name is 3-hydroxynonanoic acid. With the molecular formula of C9H18O3, its molecular weight is 174.24. The CAS registry number of this chemical is 40165-87-5.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 46.8 cm3; (15)Molar Volume: 169.6 cm3; (16)Polarizability: 18.55×10-24 cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 63.04 kJ/mol; (21)Boiling Point: 303.2 °C at 760 mmHg; (22)Vapour Pressure: 9.07E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)CCCCCC
2.InChI: InChI=1/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
3.InChIKey: XBUXARJOYUQNTC-UHFFFAOYAM
4.Std. InChI: InChI=1S/C9H18O3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)
5.Std. InChIKey: XBUXARJOYUQNTC-UHFFFAOYSA-N