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137407-42-2 | Heptanoic acid, 5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5R)-
CAS No: 137407-42-2 Catalog No: AG00139L MDL No:
Product Description
Catalog Number:
AG00139L
Chemical Name:
Heptanoic acid, 5-hydroxy-3-oxo-, 1,1-dimethylethyl ester, (5R)-
CAS Number:
137407-42-2
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
tert-butyl (5R)-5-hydroxy-3-oxoheptanoate
InChI:
InChI=1S/C11H20O4/c1-5-8(12)6-9(13)7-10(14)15-11(2,3)4/h8,12H,5-7H2,1-4H3/t8-/m1/s1
InChI Key:
HBJPBLNVYDLFQK-MRVPVSSYSA-N
SMILES:
CC[C@H](CC(=O)CC(=O)OC(C)(C)C)O
Properties
Complexity:
227
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:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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