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100315-21-7 | Cyclohexanebutanoic acid, 3-oxo-, ethyl ester
CAS No: 100315-21-7 Catalog No: AG0001LM MDL No:
Product Description
Catalog Number:
AG0001LM
Chemical Name:
Cyclohexanebutanoic acid, 3-oxo-, ethyl ester
CAS Number:
100315-21-7
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
ethyl 4-(3-oxocyclohexyl)butanoate
InChI:
InChI=1S/C12H20O3/c1-2-15-12(14)8-4-6-10-5-3-7-11(13)9-10/h10H,2-9H2,1H3
InChI Key:
PDMAGDWIOUUWKC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC1CCCC(=O)C1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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