6-phenylpyrimidine-4-carboxylic acid

6-phenylpyrimidine-4-carboxylic acid

CAS: 28668-32-8

Formula: C11H8N2O2

SMILES: OC(=O)C1=NC=NC(=C1)C1=CC=CC=C1

IUPAC: 6-phenylpyrimidine-4-carboxylic acid

InChI: InChI=1S/C11H8N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)

Composition: C (66.00%), H (4.03%), N (13.99%), O (15.98%)

Molar Mass: 200.197

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	200.058577506
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WPZVBDSJGHLIMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.37
Topological Polar Surface Area	63.08
Polarizability	21.82
Ring Count	2
Rotatable Bond Count	2

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