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113810-81-4 | 7-Dodecene-2,5-dione
CAS No: 113810-81-4 Catalog No: AG0009RR MDL No:
Product Description
Catalog Number:
AG0009RR
Chemical Name:
7-Dodecene-2,5-dione
CAS Number:
113810-81-4
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
dodec-7-ene-2,5-dione
InChI:
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-12(14)10-9-11(2)13/h6-7H,3-5,8-10H2,1-2H3
InChI Key:
FQKVLBWYRHBCTQ-UHFFFAOYSA-N
SMILES:
CCCCC=CCC(=O)CCC(=O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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