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88454-86-8 | 11-Docosyne
CAS No: 88454-86-8 Catalog No: AG004DXS MDL No:
Product Description
Catalog Number:
AG004DXS
Chemical Name:
11-Docosyne
CAS Number:
88454-86-8
Molecular Formula:
C22H42
Molecular Weight:
306.5689
IUPAC Name:
docos-11-yne
InChI:
InChI=1S/C22H42/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChI Key:
ZWDGLNIBFWCFLJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC#CCCCCCCCCCC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.329g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.578g/mol
Monoisotopic Mass:
306.329g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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