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1067230-99-2 | Trans-Ethyl 4-ethoxy-cyclohexanecarboxylate
CAS No: 1067230-99-2 Catalog No: AG01FATH MDL No:
Product Description
Catalog Number:
AG01FATH
Chemical Name:
Trans-Ethyl 4-ethoxy-cyclohexanecarboxylate
CAS Number:
1067230-99-2
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
ethyl 4-ethoxycyclohexane-1-carboxylate
InChI:
InChI=1S/C11H20O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
KXENXGBRRCMGPC-UHFFFAOYSA-N
SMILES:
CCO[C@@H]1CC[C@H](CC1)C(=O)OCC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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