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80361-79-1 | Cyclohexanecarboxaldehyde, 4-butyl-, trans-
CAS No: 80361-79-1 Catalog No: AG008MWZ MDL No:
Product Description
Catalog Number:
AG008MWZ
Chemical Name:
Cyclohexanecarboxaldehyde, 4-butyl-, trans-
CAS Number:
80361-79-1
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
4-butylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C11H20O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h9-11H,2-8H2,1H3
InChI Key:
LZRSTUTWNYNSAM-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)C=O
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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