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116831-04-0 | Hexanoic acid, 2-acetyl-2-methyl-5-oxo-, ethyl ester, (2R)-
CAS No: 116831-04-0 Catalog No: AG000DAF MDL No:
Product Description
Catalog Number:
AG000DAF
Chemical Name:
Hexanoic acid, 2-acetyl-2-methyl-5-oxo-, ethyl ester, (2R)-
CAS Number:
116831-04-0
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
ethyl (2R)-2-acetyl-2-methyl-5-oxohexanoate
InChI:
InChI=1S/C11H18O4/c1-5-15-10(14)11(4,9(3)13)7-6-8(2)12/h5-7H2,1-4H3/t11-/m1/s1
InChI Key:
CNZDATVMDLHXGZ-LLVKDONJSA-N
SMILES:
CCOC(=O)[C@@](C(=O)C)(CCC(=O)C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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