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141340-68-3 | 1,13-Tetradecadiene-7,8-dione
CAS No: 141340-68-3 Catalog No: AG001G90 MDL No:
Product Description
Catalog Number:
AG001G90
Chemical Name:
1,13-Tetradecadiene-7,8-dione
CAS Number:
141340-68-3
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
tetradeca-1,13-diene-7,8-dione
InChI:
InChI=1S/C14H22O2/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h3-4H,1-2,5-12H2
InChI Key:
RESVCQMGGQQVQV-UHFFFAOYSA-N
SMILES:
C=CCCCCC(=O)C(=O)CCCCC=C
Properties
Complexity:
215
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:
11
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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