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20965-37-1 | Cyclooctyne, 4,4,7,7-tetramethyl-
CAS No: 20965-37-1 Catalog No: AG002KC6 MDL No:
Product Description
Catalog Number:
AG002KC6
Chemical Name:
Cyclooctyne, 4,4,7,7-tetramethyl-
CAS Number:
20965-37-1
Molecular Formula:
C12H20
Molecular Weight:
164.2872
IUPAC Name:
4,4,7,7-tetramethylcyclooctyne
InChI:
InChI=1S/C12H20/c1-11(2)7-5-6-8-12(3,4)10-9-11/h7-10H2,1-4H3
InChI Key:
YRDCKQVCVGYNIP-UHFFFAOYSA-N
SMILES:
CC1(C)CCC(C)(C)CC#CC1
Properties
Complexity:
197
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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