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82672-47-7 | 1-Undecyne, 11-(1-ethoxyethoxy)-
CAS No: 82672-47-7 Catalog No: AG005C9A MDL No:
Product Description
Catalog Number:
AG005C9A
Chemical Name:
1-Undecyne, 11-(1-ethoxyethoxy)-
CAS Number:
82672-47-7
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
11-(1-ethoxyethoxy)undec-1-yne
InChI:
InChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-12-13-14-17-15(3)16-5-2/h1,15H,5-14H2,2-3H3
InChI Key:
JHCXCXRZPHWJRN-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCCOC(OCC)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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