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208242-90-4 | Nonanoic acid, 2-hydroxy-4-methylene-, ethyl ester, (2R)-
CAS No: 208242-90-4 Catalog No: AG002JKR MDL No:
Product Description
Catalog Number:
AG002JKR
Chemical Name:
Nonanoic acid, 2-hydroxy-4-methylene-, ethyl ester, (2R)-
CAS Number:
208242-90-4
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
ethyl (2R)-2-hydroxy-4-methylidenenonanoate
InChI:
InChI=1S/C12H22O3/c1-4-6-7-8-10(3)9-11(13)12(14)15-5-2/h11,13H,3-9H2,1-2H3/t11-/m1/s1
InChI Key:
DCWBVMVGXFNIMX-LLVKDONJSA-N
SMILES:
CCCCCC(=C)C[C@H](C(=O)OCC)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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