7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-,ethyl ester, (1S,5R,6S)-


Chemical Name: 7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-(1-ethylpropoxy)-,ethyl ester, (1S,5R,6S)-
CAS Number: 204254-96-6
Product Number: AG0029D8(AGN-PC-0QUDDP)
Synonyms:
MDL No:
Molecular Formula: C14H22O4
Molecular Weight: 254.3221

Identification/Properties


Properties
MP:
56-57 °C
BP:
336.5±42.0°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
254.326g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
254.152g/mol
Monoisotopic Mass:
254.152g/mol
Topological Polar Surface Area:
48.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
333
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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