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Home > Other Building Blocks > 16737-04-5
16737-04-5 | 7-Octyn-2-one
CAS No: 16737-04-5 Catalog No: AG001XCA MDL No:
Product Description
Catalog Number:
AG001XCA
Chemical Name:
7-Octyn-2-one
CAS Number:
16737-04-5
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
oct-7-yn-2-one
InChI:
InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h1H,4-7H2,2H3
InChI Key:
REYJZHHJFVWMSE-UHFFFAOYSA-N
SMILES:
C#CCCCCC(=O)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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