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Home > Aldehydes > 183604-43-5
183604-43-5 | Cyclopentaneacetaldehyde, 3-cyclohexyl-2-oxo-, trans- (9CI)
CAS No: 183604-43-5 Catalog No: AG0027R5 MDL No:
Product Description
Catalog Number:
AG0027R5
Chemical Name:
Cyclopentaneacetaldehyde, 3-cyclohexyl-2-oxo-, trans- (9CI)
CAS Number:
183604-43-5
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
2-[(1R,3R)-3-cyclohexyl-2-oxocyclopentyl]acetaldehyde
InChI:
InChI=1S/C13H20O2/c14-9-8-11-6-7-12(13(11)15)10-4-2-1-3-5-10/h9-12H,1-8H2/t11-,12-/m1/s1
InChI Key:
NYHJZEXASUQGCG-VXGBXAGGSA-N
SMILES:
O=CC[C@H]1CC[C@@H](C1=O)C1CCCCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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