2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid


Chemical Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid
CAS Number: 15625-89-5
Product Number: AG003V44(AGN-PC-04VW28)
Synonyms:
MDL No: MFCD00008628
Molecular Formula: C15H26O9
Molecular Weight: 350.3615

Identification/Properties


Properties
MP:
-66°C
BP:
758.19°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.474(lit.)
Computed Properties
Molecular Weight:
296.319g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
13
Exact Mass:
296.126g/mol
Monoisotopic Mass:
296.126g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
364
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:
H315-H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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