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115948-24-8 | 1,11-Dodecadiene-3,10-dione, 2,11-dimethyl-
CAS No: 115948-24-8 Catalog No: AG000H5V MDL No:
Product Description
Catalog Number:
AG000H5V
Chemical Name:
1,11-Dodecadiene-3,10-dione, 2,11-dimethyl-
CAS Number:
115948-24-8
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
2,11-dimethyldodeca-1,11-diene-3,10-dione
InChI:
InChI=1S/C14H22O2/c1-11(2)13(15)9-7-5-6-8-10-14(16)12(3)4/h1,3,5-10H2,2,4H3
InChI Key:
AQSQKIKOHSALJF-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)CCCCCCC(=O)C(=C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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