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10137-90-3 | 3-Nonen-2-one, 5-ethyl-
CAS No: 10137-90-3 Catalog No: AG0004BK MDL No:
Product Description
Catalog Number:
AG0004BK
Chemical Name:
3-Nonen-2-one, 5-ethyl-
CAS Number:
10137-90-3
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
(E)-5-ethylnon-3-en-2-one
InChI:
InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+
InChI Key:
SWBGUNASIKSCCO-CMDGGOBGSA-N
SMILES:
CCCCC(C=CC(=O)C)CC
EC Number:
233-379-8
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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