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28884-88-0 | 7-Dodecyn-6-one
CAS No: 28884-88-0 Catalog No: AG002WXM MDL No:
Product Description
Catalog Number:
AG002WXM
Chemical Name:
7-Dodecyn-6-one
CAS Number:
28884-88-0
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
dodec-7-yn-6-one
InChI:
InChI=1S/C12H20O/c1-3-5-7-9-11-12(13)10-8-6-4-2/h3-8,10H2,1-2H3
InChI Key:
FDVRWEJPVWVEDC-UHFFFAOYSA-N
SMILES:
CCCCC#CC(=O)CCCCC
NSC Number:
244942
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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