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167545-47-3 | Cyclohexanecarboxaldehyde, 4-ethyl-, trans-
CAS No: 167545-47-3 Catalog No: AG001XG6 MDL No:
Product Description
Catalog Number:
AG001XG6
Chemical Name:
Cyclohexanecarboxaldehyde, 4-ethyl-, trans-
CAS Number:
167545-47-3
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
4-ethylcyclohexane-1-carbaldehyde
InChI:
InChI=1S/C9H16O/c1-2-8-3-5-9(7-10)6-4-8/h7-9H,2-6H2,1H3
InChI Key:
GJRARBLKMCCJFO-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)C=O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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