Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI)


Chemical Name: Benzenepropanoic acid, 3-borono-, a-ethyl ester(9CI)
CAS Number: 913835-82-2
Product Number: AG00GRYD(AGN-PC-0VS7DN)
Synonyms:
MDL No:
Molecular Formula: C11H15BO4
Molecular Weight: 222.0454

Identification/Properties


Properties
MP:
94-96 °C
BP:
382.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
222.047g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
222.106g/mol
Monoisotopic Mass:
222.106g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
220
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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