3-(1-Methyl-5-imidazolyl)benzoic Acid


Chemical Name: 3-(1-Methyl-5-imidazolyl)benzoic Acid
CAS Number: 1261269-06-0
Product Number: AG000RPX(AGN-PC-0WA767)
Synonyms:
MDL No: MFCD18375276
Molecular Formula: C11H10N2O2
Molecular Weight: 202.2093

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
202.213g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
202.074g/mol
Monoisotopic Mass:
202.074g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
245
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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