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CAS No.: | 103-27-5 |
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Name: | Phenylmercurypropionate |
Molecular Structure: | |
Formula: | C18H18HgO4 |
Molecular Weight: | 498.92 |
Synonyms: | Mercury, phenyl(propionato)- (8CI);Mercury,phenyl(propionyloxy)- (7CI);Phenylmercury propionate (6CI);Metasol 57;Metasol P-6;NSC 11822;Phenyl(propionyloxy)mercury;Mercury,phenyl(propanoato-kO)-;Phenylmercuric propionate; |
EINECS: | 203-094-3 |
Melting Point: | 80-81 °C |
Transport Information: | UN 2026 6.1/PG 2 |
PSA: | 26.30000 |
LogP: | 1.26260 |
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The Phenylmercury propionate, with the CAS registry number 103-27-5, is also known as Mercury, phenyl(propanoato-kappaO)-. It belongs to the product category of Organometallics. Its EINECS registry number is 203-094-3. This chemical's molecular formula is C18H18HgO4 and molecular weight is 498.92. What's more, its systematic name is called Phenyl(propanoato-kappaO)mercury.
Physical properties about Phenylmercury propionate are: (1)ACD/LogP: 1.241; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.17; (6)ACD/BCF (pH 7.4): 5.17; (7)ACD/KOC (pH 5.5): 112.80; (8)ACD/KOC (pH 7.4): 112.80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)O[Hg]c1ccccc1
(2)InChI: InChI=1S/C6H5.C3H6O2.Hg/c1-2-4-6-5-3-1;1-2-3(4)5;/h1-5H;2H2,1H3,(H,4,5);/q;;+1/p-1
(3)InChIKey: OOCYPIXCHKROMD-UHFFFAOYSA-M