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125404-66-2 | Hexanoic acid, 5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5R)-
CAS No: 125404-66-2 Catalog No: AG000NMV MDL No:
Product Description
Catalog Number:
AG000NMV
Chemical Name:
Hexanoic acid, 5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5R)-
CAS Number:
125404-66-2
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
tert-butyl (5R)-5-hydroxy-3-oxohexanoate
InChI:
InChI=1S/C10H18O4/c1-7(11)5-8(12)6-9(13)14-10(2,3)4/h7,11H,5-6H2,1-4H3/t7-/m1/s1
InChI Key:
MLUIYOZZNWKUCF-SSDOTTSWSA-N
SMILES:
C[C@H](CC(=O)CC(=O)OC(C)(C)C)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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