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TETRAMETHYL(N-PROPYL)CYCLOPENTADIENE

CAS No.:
64417-12-5
Catalog Number:
AG003UPY
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003UPY
Chemical Name:
TETRAMETHYL(N-PROPYL)CYCLOPENTADIENE
CAS Number:
64417-12-5
MDL Number:
MFCD00145386
IUPAC Name:
1,2,3,4-tetramethyl-5-propylcyclopenta-1,3-diene
InChI:
InChI=1S/C12H20/c1-6-7-12-10(4)8(2)9(3)11(12)5/h12H,6-7H2,1-5H3
InChI Key:
SQGUQDKNIMNMLY-UHFFFAOYSA-N
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.157g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.292g/mol
Monoisotopic Mass:
164.157g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Substituent effects on dynamics at conical intersections: cyclopentadienes. The journal of physical chemistry. A 20100401
Properties