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197303-75-6 | 2(3H)-Furanone, 4-acetyl-3-butyldihydro-5-methyl-, (3R,4R,5S)-
CAS No: 197303-75-6 Catalog No: AG002AQU MDL No:
Product Description
Catalog Number:
AG002AQU
Chemical Name:
2(3H)-Furanone, 4-acetyl-3-butyldihydro-5-methyl-, (3R,4R,5S)-
CAS Number:
197303-75-6
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
(3R,4R,5S)-4-acetyl-3-butyl-5-methyloxolan-2-one
InChI:
InChI=1S/C11H18O3/c1-4-5-6-9-10(7(2)12)8(3)14-11(9)13/h8-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
InChI Key:
XDQYILFULYZFTL-AEJSXWLSSA-N
SMILES:
CCCC[C@H]1C(=O)O[C@H]([C@@H]1C(=O)C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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