Butanoic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3S)-


Chemical Name: Butanoic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3S)-
CAS Number: 82578-45-8
Product Number: AG008K8C(AGN-PC-0OIPT1)
Synonyms:
MDL No:
Molecular Formula: C8H16O3
Molecular Weight: 160.2108

Identification/Properties


Computed Properties
Molecular Weight:
160.213g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
160.11g/mol
Monoisotopic Mass:
160.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
135
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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