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206996-51-2 | Butanoic acid, 2-hydroxy-, 1,1-dimethylethyl ester, (2R)-
CAS No: 206996-51-2 Catalog No: AG002IS3 MDL No:MFCD00210055
Product Description
Catalog Number:
AG002IS3
Chemical Name:
Butanoic acid, 2-hydroxy-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
206996-51-2
Molecular Formula:
C8H16O3
Molecular Weight:
160.2108
MDL Number:
MFCD00210055
IUPAC Name:
tert-butyl (2R)-2-hydroxybutanoate
InChI:
InChI=1S/C8H16O3/c1-5-6(9)7(10)11-8(2,3)4/h6,9H,5H2,1-4H3/t6-/m1/s1
InChI Key:
UPRLOYNUXQZAPJ-ZCFIWIBFSA-N
SMILES:
CC[C@H](C(=O)OC(C)(C)C)O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.213g/mol
Monoisotopic Mass:
160.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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