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139092-08-3 | 5,9-Undecadien-2-one, 3-diazo-6,10-dimethyl-, (E)- (9CI)
CAS No: 139092-08-3 Catalog No: AG001A95 MDL No:
Product Description
Catalog Number:
AG001A95
Chemical Name:
5,9-Undecadien-2-one, 3-diazo-6,10-dimethyl-, (E)- (9CI)
CAS Number:
139092-08-3
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
3-diazo-6,10-dimethylundeca-5,9-dien-2-one
InChI:
InChI=1S/C13H20N2O/c1-10(2)6-5-7-11(3)8-9-13(15-14)12(4)16/h6,8H,5,7,9H2,1-4H3
InChI Key:
OEXSBWLOHCJFSF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)C)C/C=C(/CCC=C(C)C)\C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
19.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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