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15971-92-3 | Cyclohexanepropanoic acid, β-oxo-, ethyl ester
CAS No: 15971-92-3 Catalog No: AG001RD1 MDL No:MFCD04115574
Product Description
Catalog Number:
AG001RD1
Chemical Name:
Cyclohexanepropanoic acid, β-oxo-, ethyl ester
CAS Number:
15971-92-3
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD04115574
IUPAC Name:
ethyl 3-cyclohexyl-3-oxopropanoate
InChI:
InChI=1S/C11H18O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChI Key:
ASYASKBLHYSMEG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C1CCCCC1
NSC Number:
103765
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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