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20184-91-2 | 4-NONYNE
CAS No: 20184-91-2 Catalog No: AG0027V7 MDL No:
Product Description
Catalog Number:
AG0027V7
Chemical Name:
4-NONYNE
CAS Number:
20184-91-2
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
non-4-yne
InChI:
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
InChI Key:
RAYTXPDVKZFUEI-UHFFFAOYSA-N
SMILES:
CCCCC#CCCC
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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