5-methyl-2-(pyrimidin-2-yl)benzoic acid


Chemical Name: 5-methyl-2-(pyrimidin-2-yl)benzoic acid
CAS Number: 1088994-22-2
Product Number: AG0037Z6(AGN-PC-076V0K)
Synonyms:
MDL No: MFCD14706695
Molecular Formula: C12H10N2O2
Molecular Weight: 214.2200

Identification/Properties


Computed Properties
Molecular Weight:
214.224g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
214.074g/mol
Monoisotopic Mass:
214.074g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
251
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-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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