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104453-34-1

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Basic Information
CAS No.: 104453-34-1
Name: cycloheptane, 1,2,3,4,5-pentamethylcyclopentane, zirconium
Molecular Structure:
Molecular Structure of 104453-34-1 (cycloheptane, 1,2,3,4,5-pentamethylcyclopentane, zirconium)
Formula: C17H22Zr
Molecular Weight: 310.53
Synonyms: Cycloheptatrienylium, zirconiumcomplex;1,3-Cyclopentadiene,1,2,3,4,5-pentamethyl-, zirconium complex;
Boiling Point: 170.2 °C at 760 mmHg
Flash Point: 44.4 °C
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    Zirconium, (h7-cycloheptatrienylium)[(1,2,3,4,5-h)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-(9CI)

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  • cycloheptane, 1,2,3,4,5-pentamethylcyclopentane, zirconium

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    104453-34-1

    cycloheptane, 1,2,3,4,5-pentamethylcyclopentane, zirconium

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Specification

The systematic name of this chemical is Cycloheptane; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; zirconium. With the CAS registry number 104453-34-1, it is also named as Zirconium, (h7-cycloheptatrienylium)[(1,2,3,4,5-h)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-(9CI). The molecular formula is C17H22Zr.

The other characteristics of Cycloheptane; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; zirconium can be summarized as: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Flash Point: 44.4 °C; (8)Enthalpy of Vaporization: 38.99 kJ/mol; (9)Boiling Point: 170.2 °C at 760 mmHg; (10)Vapour Pressure: 1.97 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Zr].c1([c-](c(c(c1C)C)C)C)C.[CH-]1[CH-][CH-][CH-][CH-][CH-][CH-]1
2. InChI:InChI=1/C10H15.C7H7.Zr/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-7-5-3-1;/h1-5H3;1-7H;/q-1;-7; 
3. InChIKey:RRCAMXGUYJBKNY-UHFFFAOYAP
4. Std. InChI:InChI=1S/C10H15.C7H7.Zr/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-7-5-3-1;/h1-5H3;1-7H;/q-1;-7;
5. Std. InChIKey:RRCAMXGUYJBKNY-UHFFFAOYSA-N