1,3-Dioxolane-4-carboxylic acid, 2,2,5-trimethyl-, methyl ester, (4S,5R)-


Chemical Name: 1,3-Dioxolane-4-carboxylic acid, 2,2,5-trimethyl-, methyl ester, (4S,5R)-
CAS Number: 38410-80-9
Product Number: AG0079X4(AGN-PC-0O9N1A)
Synonyms:
MDL No:
Molecular Formula: C8H14O4
Molecular Weight: 174.1944

Identification/Properties


Computed Properties
Molecular Weight:
174.196g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
174.089g/mol
Monoisotopic Mass:
174.089g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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:
H227-H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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