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126930-21-0 | Cyclohexanepentanoic acid, β-oxo-, ethyl ester
CAS No: 126930-21-0 Catalog No: AG000WF3 MDL No:
Product Description
Catalog Number:
AG000WF3
Chemical Name:
Cyclohexanepentanoic acid, β-oxo-, ethyl ester
CAS Number:
126930-21-0
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
ethyl 5-cyclohexyl-3-oxopentanoate
InChI:
InChI=1S/C13H22O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h11H,2-10H2,1H3
InChI Key:
CYVJFXKWPLHZTD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CCC1CCCCC1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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