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117012-90-5 | Potassium, [1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]-
CAS No: 117012-90-5 Catalog No: AG000DJR MDL No:
Product Description
Catalog Number:
AG000DJR
Chemical Name:
Potassium, [1-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]-
CAS Number:
117012-90-5
Molecular Formula:
C9H13K
Molecular Weight:
160.2978
IUPAC Name:
potassium;5-tert-butylcyclopenta-1,3-diene
InChI:
InChI=1S/C9H13.K/c1-9(2,3)8-6-4-5-7-8;/h4-7H,1-3H3;/q-1;+1
InChI Key:
BXTARXPAIAAHBZ-UHFFFAOYSA-N
SMILES:
CC(C1([K])C=CC=C1)(C)C
Properties
Complexity:
85.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.301g/mol
Monoisotopic Mass:
160.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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