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89074-69-1 | Cyclohexanecarboxaldehyde, 4-hexyl-, trans-
CAS No: 89074-69-1 Catalog No: AG0040OA MDL No:
Product Description
Catalog Number:
AG0040OA
Chemical Name:
Cyclohexanecarboxaldehyde, 4-hexyl-, trans-
CAS Number:
89074-69-1
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
4-hexylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C13H24O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h11-13H,2-10H2,1H3
InChI Key:
DZQKIOZHWPYHIG-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H]1CC[C@H](CC1)C=O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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