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Name |
2-Pyrenemethanol,2-(hydrogen sulfate) |
EINECS | N/A |
CAS No. | 132769-77-8 | Density | 1.537 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H12O4S | Boiling Point | N/A |
Molecular Weight | 312.3398 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Pyrenemethanol,hydrogen sulfate (9CI);pyren-2-ylmethyl hydrogen sulfate;pyrenemethanol, hydrogen sulfate; |
The 2-Pyrenemethanol,2-(hydrogen sulfate), with the CAS registry number 132769-77-8, has the systematic name and IUPAC name of pyren-2-ylmethyl hydrogen sulfate. And the molecular formula of this chemical is C17H12O4S. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Pyrenemethanol,2-(hydrogen sulfate) are as following: (1)ACD/LogP: 4.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.6; (8)ACD/KOC (pH 7.4): 1.6; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 60.98 Å2; (13)Index of Refraction: 1.819; (14)Molar Refractivity: 88.39 cm3; (15)Molar Volume: 203.1 cm3; (16)Polarizability: 35.04×10-24cm3; (17)Surface Tension: 79.1 dyne/cm; (18)Density: 1.537 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)OCc3cc2ccc1cccc4c1c2c(c3)cc4
(2)InChI: InChI=1/C17H12O4S/c18-22(19,20)21-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-9H,10H2,(H,18,19,20)
(3)InChIKey: BXQLMAIEVDQAEP-UHFFFAOYAN