Acetic acid, hydroxy-, 1,1-dimethylethyl ester


Chemical Name: Acetic acid, hydroxy-, 1,1-dimethylethyl ester
CAS Number: 50595-15-8
Product Number: AG0035MX(AGN-PC-00GQH2)
Synonyms:
MDL No: MFCD03452739
Molecular Formula: C6H12O3
Molecular Weight: 132.1577

Identification/Properties


Properties
MP:
28 °C
BP:
56°C/12mmHg(lit.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4180 to 1.4220
Computed Properties
Molecular Weight:
132.159g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
132.079g/mol
Monoisotopic Mass:
132.079g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
101
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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