Benzoic acid, 3-borono-


Chemical Name: Benzoic acid, 3-borono-
CAS Number: 25487-66-5
Product Number: AG003J5Y(AGN-PC-0KK6A4)
Synonyms:
MDL No: MFCD00036833
Molecular Formula: C7H7BO4
Molecular Weight: 165.9391

Identification/Properties


Properties
MP:
243-247 °C(lit.)
BP:
434.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
165.939g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
166.044g/mol
Monoisotopic Mass:
166.044g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
171
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:
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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