Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,2-Benzenediol,4,5-dimethoxy- |
EINECS | N/A |
CAS No. | 1664-27-3 | Density | 1.267 g/cm3 |
PSA | 58.92000 | LogP | 1.11500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H10O4 | Boiling Point | 354.1 °C at 760 mmHg |
Molecular Weight | 170.165 | Flash Point | 168 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrocatechol,4,5-dimethoxy- (7CI,8CI);4,5-Dimethoxy-1,2-benzenediol;4,5-Dimethoxycatechol;4,5-Dimethoxypyrocatechol; |
Article Data | 5 |
This chemical is called 1,2-Benzenediol,4,5-dimethoxy-, and its systematic name is 4,5-dimethoxybenzene-1,2-diol. With the molecular formula of C8H10O4, its molecular weight is 170.1626. The CAS registry number of this chemical is 1664-27-3.
Other characteristics of the 1,2-Benzenediol,4,5-dimethoxy- can be summarised as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.93; (6)ACD/BCF (pH 7.4): 1.91; (7)ACD/KOC (pH 5.5): 55.63; (8)ACD/KOC (pH 7.4): 55.3; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.92 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 43.37 cm3; (15)Molar Volume: 134.2 cm3; (16)Polarizability: 17.19×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 168 °C; (20)Enthalpy of Vaporization: 62.27 kJ/mol; (21)Boiling Point: 354.1 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc(O)c(O)cc1OC
2.InChI: InChI=1/C8H10O4/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,9-10H,1-2H3
3.InChIKey: ASYWQJACGNQHIF-UHFFFAOYAN