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72993-29-4 | 4-Undecen-2-one, (4E)-
CAS No: 72993-29-4 Catalog No: AG005CYT MDL No:
Product Description
Catalog Number:
AG005CYT
Chemical Name:
4-Undecen-2-one, (4E)-
CAS Number:
72993-29-4
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
undec-4-en-2-one
InChI:
InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h8-9H,3-7,10H2,1-2H3
InChI Key:
RGKAYELXMBVDAZ-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/CC(=O)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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