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113801-69-7

113801-69-7 | Copper, [1-(cyclohexylmethyl)ethenyl]-1-pentynyl- (9CI)

CAS No: 113801-69-7 Catalog No: AG0009PV MDL No:

Product Description

Catalog Number:
AG0009PV
Chemical Name:
Copper, [1-(cyclohexylmethyl)ethenyl]-1-pentynyl- (9CI)
CAS Number:
113801-69-7
Molecular Formula:
C14H22Cu
Molecular Weight:
253.8705
IUPAC Name:
copper;pent-1-yne;prop-2-enylcyclohexane
InChI:
InChI=1S/C9H15.C5H7.Cu/c1-2-6-9-7-4-3-5-8-9;1-3-5-4-2;/h9H,1,3-8H2;3,5H2,1H3;/q2*-1;+2
InChI Key:
IXQNYHILWUIBCS-UHFFFAOYSA-N
SMILES:
CCCC#C[Cu]C(=C)CC1CCCCC1

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.102g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.876g/mol
Monoisotopic Mass:
253.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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