Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4,7-Methano-1H-indene-2,5-dimethanol,octahydro- |
EINECS | 248-857-1 |
CAS No. | 28132-01-6 | Density | 1.111 g/cm3 |
PSA | 40.46000 | LogP | 1.26940 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H20O2 | Boiling Point | 356.7 °C at 760 mmHg |
Molecular Weight | 196.29 | Flash Point | 173.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4,7-Methanoindan-2,5-dimethanol,hexahydro- (6CI,8CI);4,8-Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane;NSC76048;Tricyclo[5.2.1.02,6]decane-4,8-dimethanol; |
Article Data | 4 |
The 4, 7-Methano-1H-indene-2, 5-dimethanol, octahydro-, with the CAS registry number 28132-01-6, is also known as Tricyclo[5.2.1.02,6]decane-4,8-diyldimethanol. Its EINECS registry number is 248-857-1. This chemical's molecular formula is C12H20O2 and molecular weight is 196.286. What's more, its systematic name is Octahydro-1H-4, 7-methanoindene-2, 5-diyldimethanol.
Physical properties about 4, 7-Methano-1H-indene-2, 5-dimethanol, octahydro- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.76; (6)ACD/BCF (pH 7.4): 4.76; (7)ACD/KOC (pH 5.5): 106.41; (8)ACD/KOC (pH 7.4): 106.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 54.67 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 21.67×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 173.4 °C; (20)Enthalpy of Vaporization: 69.69 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CC3C(C1)C2CC(C3C2)CO
(2) InChI: InChI=1/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2
(3) InChIKey: ZFZDWMXUMXACHS-UHFFFAOYAK