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249292-43-1 | Benzoic acid, 4-(4-pyrimidinyl)-
CAS No: 249292-43-1 Catalog No: AG002PWS MDL No:
Product Description
Catalog Number:
AG002PWS
Chemical Name:
Benzoic acid, 4-(4-pyrimidinyl)-
CAS Number:
249292-43-1
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
4-pyrimidin-4-ylbenzoic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-7H,(H,14,15)
InChI Key:
GDGFTEGUDDPSIT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccncn1
Properties
Complexity:
225
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:
1.4
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