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CAS No.: | 48160-61-8 |
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Name: | 4-PHENYLENEDIGLYOXAL DIHYDRATE |
Molecular Structure: | |
Formula: | C10H10O6 |
Molecular Weight: | 226.18 |
Synonyms: | 4-PHENYLENEDIGLYOXAL DIHYDRATE;4-Phenylenediglyoxal dihydrate 95%;4-PHENYLENEDIGLYOXAL DIHYDRATE, 95+%;Zinc02529155;1,1-(1,4-Phenylene)bis(2,2-dihydroxyethanone) |
EINECS: | 604-604-1 |
Density: | 1.578±0.06 g/cm3(Predicted) |
Boiling Point: | 486.7 °C at 760 mmHg |
Flash Point: | 248.1 °C |
Hazard Symbols: | Xi |
PSA: | 86.74000 |
LogP: | 0.32120 |
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This chemical is called 2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate, and its systematic name is 2,2'-benzene-1,4-diylbis(oxoacetaldehyde) dihydrate. With the molecular formula of C10H10O6, its molecular weight is 226.18. The CAS registry number of this chemical is 48160-61-8.
Other characteristics of the 2,2'-(1,4-Phenylene)bis(oxoacetaldehyde) dihydrate can be summarised as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 6; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 68.28 Å2; (10)Flash Point: 248.1 °C; (11)Enthalpy of Vaporization: 79.25 kJ/mol; (12)Boiling Point: 486.7 °C at 760 mmHg; (13)Vapour Pressure: 2.77E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O.O.O=C(C=O)c1ccc(cc1)C(=O)C=O
2.InChI: InChI=1/C10H6O4.2H2O/c11-5-9(13)7-1-2-8(4-3-7)10(14)6-12;;/h1-6H;2*1H2
3.InChIKey: QVYLUAMYDJYVFM-UHFFFAOYAF