2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-,(1R,4S)-


Chemical Name: 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-,(1R,4S)-
CAS Number: 67111-66-4
Product Number: AG003BFV(AGN-PC-0TN4EN)
Synonyms:
MDL No:
Molecular Formula: C10H14O4
Molecular Weight: 198.2158

Identification/Properties


Properties
MP:
200-202 °C(lit.)
BP:
355.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.218g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
198.089g/mol
Monoisotopic Mass:
198.089g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
333
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:
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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