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112379-49-4

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Basic Information
CAS No.: 112379-49-4
Name: Bis(pentamethylcyclopentadienyl)barium
Molecular Structure:
Molecular Structure of 112379-49-4 (Bis(pentamethylcyclopentadienyl)barium)
Formula: C20H30Ba
Molecular Weight: 407.79
Synonyms: 1,3-Cyclopentadiene,1,2,3,4,5-pentamethyl-, barium complex;Bis(pentamethylcyclopentadienyl)barium;Bis(h5-pentamethylcyclopentadienyl)barium;
PSA: 0.00000
LogP: 6.16900
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Specification

The CAS register number of Bis(pentamethylcyclopentadienyl)barium is 112379-49-4. It also can be called as barium, bis(2,3,4,5,5-pentamethyl-1,3-cyclopentadien-1-yl)- and the systematic name about this chemical is Bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)barium. Physical properties about Bis(pentamethylcyclopentadienyl)barium are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 0Å2.

People can use the following data to convert to the molecule structure.
1.SMILES: CC2(C)C(\[Ba]\C1=C(/C)\C(\C)=C(\C)C1(C)C)=C(\C)C(\C)=C2\C
2.InChI: InChI=1/2C10H15.Ba/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3;/rC20H30Ba/c1-11-13(3)17(19(7,8)15(11)5)21-18-14(4)12(2)16(6)20(18,9)10/h1-10H3 
3.InChIKey: OVMHXLUORGHHGU-WOXSJWRHAY
4.Std. InChI: InChI=1S/2C10H15.Ba/c2*1-7-6-10(4,5)9(3)8(7)2;/h2*1-5H3