4-phenylpyrimidine-2-carboxylic acid


Chemical Name: 4-phenylpyrimidine-2-carboxylic acid
CAS Number: 74647-39-5
Product Number: AG00FE9E(AGN-PC-0NJHUQ)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O2
Molecular Weight: 200.1934

Identification/Properties


Computed Properties
Molecular Weight:
200.197g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
200.059g/mol
Monoisotopic Mass:
200.059g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
227
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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