3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid


Chemical Name: 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
CAS Number: 693248-53-2
Product Number: AG006GEL(AGN-PC-0H8Z9P)
Synonyms:
MDL No:
Molecular Formula: C6H8O3
Molecular Weight: 128.1259

Identification/Properties


Properties
BP:
281.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
128.127g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
128.047g/mol
Monoisotopic Mass:
128.047g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
144
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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