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17853-46-2

17853-46-2 | 1,8-Cyclohexadecanedione

CAS No: 17853-46-2 Catalog No: AG00264U MDL No:

Product Description

Catalog Number:
AG00264U
Chemical Name:
1,8-Cyclohexadecanedione
CAS Number:
17853-46-2
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
cyclohexadecane-1,8-dione
InChI:
InChI=1S/C16H28O2/c17-15-11-7-3-1-2-4-8-12-16(18)14-10-6-5-9-13-15/h1-14H2
InChI Key:
SSRUWICMOKOXLR-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCC(=O)CCCCCCCC1

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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