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100303-76-2 | Butanoic acid, 3-oxo-, cyclohexylmethyl ester
CAS No: 100303-76-2 Catalog No: AG0001K0 MDL No:
Product Description
Catalog Number:
AG0001K0
Chemical Name:
Butanoic acid, 3-oxo-, cyclohexylmethyl ester
CAS Number:
100303-76-2
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
cyclohexylmethyl 3-oxobutanoate
InChI:
InChI=1S/C11H18O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h10H,2-8H2,1H3
InChI Key:
XAHWQNFLXQOUJZ-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C)OCC1CCCCC1
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:
2.3
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