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88974-61-2 | 1,2-Cyclohexanedione, 3-hexyl-
CAS No: 88974-61-2 Catalog No: AG0046KJ MDL No:
Product Description
Catalog Number:
AG0046KJ
Chemical Name:
1,2-Cyclohexanedione, 3-hexyl-
CAS Number:
88974-61-2
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
3-hexylcyclohexane-1,2-dione
InChI:
InChI=1S/C12H20O2/c1-2-3-4-5-7-10-8-6-9-11(13)12(10)14/h10H,2-9H2,1H3
InChI Key:
FGIMSSRTSQSRAC-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCCC(=O)C1=O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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