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191412-56-3 | 2-Oxiranecarboxylic acid, 2-(6-hydroxyhexyl)-, ethyl ester, (2R)-
CAS No: 191412-56-3 Catalog No: AG002F8I MDL No:
Product Description
Catalog Number:
AG002F8I
Chemical Name:
2-Oxiranecarboxylic acid, 2-(6-hydroxyhexyl)-, ethyl ester, (2R)-
CAS Number:
191412-56-3
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
ethyl (2R)-2-(6-hydroxyhexyl)oxirane-2-carboxylate
InChI:
InChI=1S/C11H20O4/c1-2-14-10(13)11(9-15-11)7-5-3-4-6-8-12/h12H,2-9H2,1H3/t11-/m1/s1
InChI Key:
KWVMUHBRVZGAAK-LLVKDONJSA-N
SMILES:
OCCCCCC[C@@]1(CO1)C(=O)OCC
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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