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168298-58-6 | 5,17-DOCOSADIYNE
CAS No: 168298-58-6 Catalog No: AG001XZP MDL No:
Product Description
Catalog Number:
AG001XZP
Chemical Name:
5,17-DOCOSADIYNE
CAS Number:
168298-58-6
Molecular Formula:
C22H38
Molecular Weight:
302.5371
IUPAC Name:
docosa-5,17-diyne
InChI:
InChI=1S/C22H38/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-8,13-22H2,1-2H3
InChI Key:
IRIOKCANDFQDEC-UHFFFAOYSA-N
SMILES:
CCCCC#CCCCCCCCCCCC#CCCCC
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.297g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.546g/mol
Monoisotopic Mass:
302.297g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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