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23427-68-1 | 1,2-Cyclotetradecanedione
CAS No: 23427-68-1 Catalog No: AG002N7A MDL No:
Product Description
Catalog Number:
AG002N7A
Chemical Name:
1,2-Cyclotetradecanedione
CAS Number:
23427-68-1
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
cyclotetradecane-1,2-dione
InChI:
InChI=1S/C14H24O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(13)16/h1-12H2
InChI Key:
MXTFEOYSFWGYJD-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCCCC1=O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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