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127519-14-6 | Undecanoic acid, 3-hydroxy-, methyl ester, (3R)-
CAS No: 127519-14-6 Catalog No: AG000X5N MDL No:
Product Description
Catalog Number:
AG000X5N
Chemical Name:
Undecanoic acid, 3-hydroxy-, methyl ester, (3R)-
CAS Number:
127519-14-6
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
methyl (3R)-3-hydroxyundecanoate
InChI:
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-11(13)10-12(14)15-2/h11,13H,3-10H2,1-2H3/t11-/m1/s1
InChI Key:
ODWHGFYACOPLGF-LLVKDONJSA-N
SMILES:
CCCCCCCC[C@H](CC(=O)OC)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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