Benzoic acid, 3-ethenyl-


Chemical Name: Benzoic acid, 3-ethenyl-
CAS Number: 28447-20-3
Product Number: AG007KLE(AGN-PC-0LB4JB)
Synonyms:
MDL No:
Molecular Formula: C9H8O2
Molecular Weight: 148.1586

Identification/Properties


Computed Properties
Molecular Weight:
148.161g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
148.052g/mol
Monoisotopic Mass:
148.052g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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