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Name |
Nonanoic acid, 9-mercapto- |
EINECS | N/A |
CAS No. | 204063-54-7 | Density | 1.024 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H18O2S | Boiling Point | 316.835 °C at 760 mmHg |
Molecular Weight | 190.307 | Flash Point | 145.417 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Nonanoic acid, 9-mercapto- |
The CAS registry number of Nonanoic acid, 9-mercapto- is 204063-54-7. This chemical's molecular formula is C9H18O2S and molecular weight is 190.30. What's more, its systematic name is called 9-Sulfanylnonanoic acid.
Physical properties about Nonanoic acid, 9-mercapto- are: (1)ACD/LogP: 2.864; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 14.07; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 136.98; (8)ACD/KOC (pH 7.4): 2.20; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 76.1 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 53.206 cm3; (15)Molar Volume: 185.77 cm3; (16)Polarizability: 21.092×10-24cm3; (17)Surface Tension: 38.876 dyne/cm; (18)Density: 1.024 g/cm3; (19)Flash Point: 145.417 °C; (20)Enthalpy of Vaporization: 61.377 kJ/mol; (21)Boiling Point: 316.835 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCS
(2) InChI: InChI=1S/C9H18O2S/c10-9(11)7-5-3-1-2-4-6-8-12/h12H,1-8H2,(H,10,11)
(3) InChIKey: IHFVMIBWPIRORL-UHFFFAOYSA-N