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88681-90-7

88681-90-7 | 1-Nonen-4-one, 6-ethenyl-

CAS No: 88681-90-7 Catalog No: AG0047GA MDL No:

Product Description

Catalog Number:
AG0047GA
Chemical Name:
1-Nonen-4-one, 6-ethenyl-
CAS Number:
88681-90-7
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
6-ethenylnon-1-en-4-one
InChI:
InChI=1S/C11H18O/c1-4-7-10(6-3)9-11(12)8-5-2/h5-6,10H,2-4,7-9H2,1H3
InChI Key:
OMBOEGHFHTWYEW-UHFFFAOYSA-N
SMILES:
CCCC(CC(=O)CC=C)C=C

Properties

Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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