Home Carboxys 4-Pyrimidinecarboxylic acid, 2-phenyl-

4-Pyrimidinecarboxylic acid, 2-phenyl-

CAS No.:
16879-53-1
Catalog Number:
AG001YAX
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
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Product Description
Catalog Number:
AG001YAX
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-phenyl-
CAS Number:
16879-53-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD09258697
IUPAC Name:
2-phenylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChI Key:
RBPXFHFYDRRIJQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(n1)c1ccccc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties