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30086-02-3

30086-02-3 | 3,5-Octadien-2-One

CAS No: 30086-02-3 Catalog No: AG0038U0 MDL No:

Product Description

Catalog Number:
AG0038U0
Chemical Name:
3,5-Octadien-2-One
CAS Number:
30086-02-3
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
IUPAC Name:
(3E,5E)-octa-3,5-dien-2-one
InChI:
InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
InChI Key:
LWRKMRFJEUFXIB-YTXTXJHMSA-N
SMILES:
CCC=CC=CC(=O)C
FEMA Number:
4008

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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