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125988-01-4 | Hexanoic acid, 6-cyano-5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5R)-
CAS No: 125988-01-4 Catalog No: AG000QMH MDL No:MFCD16251319
Product Description
Catalog Number:
AG000QMH
Chemical Name:
Hexanoic acid, 6-cyano-5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5R)-
CAS Number:
125988-01-4
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD16251319
IUPAC Name:
tert-butyl (5R)-6-cyano-5-hydroxy-3-oxohexanoate
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)7-9(14)6-8(13)4-5-12/h8,13H,4,6-7H2,1-3H3/t8-/m1/s1
InChI Key:
CCQZKUWBWPJBPY-MRVPVSSYSA-N
SMILES:
N#CC[C@H](CC(=O)CC(=O)OC(C)(C)C)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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