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89523-67-1 | 2-Undecen-5-yn-4-one, (E)-
CAS No: 89523-67-1 Catalog No: AG003ZSP MDL No:
Product Description
Catalog Number:
AG003ZSP
Chemical Name:
2-Undecen-5-yn-4-one, (E)-
CAS Number:
89523-67-1
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
undec-2-en-5-yn-4-one
InChI:
InChI=1S/C11H16O/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9H,3,5-7H2,1-2H3
InChI Key:
ADVWARIWTSKKCF-UHFFFAOYSA-N
SMILES:
CCCCCC#CC(=O)/C=C/C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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