2-{4-[(2-carboxy-4-hydroxyphenyl)carbamoyl]benzamido}-5-hydroxybenzoic acid

2-{4-[(2-carboxy-4-hydroxyphenyl)carbamoyl]benzamido}-5-hydroxybenzoic acid

Formula: C22H16N2O8

SMILES: OC(=O)C1=CC(O)=CC=C1NC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=C(O)C=C1C(O)=O

IUPAC: 2-{4-[(2-carboxy-4-hydroxyphenyl)carbamoyl]benzamido}-5-hydroxybenzoic acid

InChI: InChI=1S/C22H16N2O8/c25-13-5-7-17(15(9-13)21(29)30)23-19(27)11-1-2-12(4-3-11)20(28)24-18-8-6-14(26)10-16(18)22(31)32/h1-10,25-26H,(H,23,27)(H,24,28)(H,29,30)(H,31,32)

Composition: C (60.55%), H (3.70%), N (6.42%), O (29.33%)

Molar Mass: 436.376

Atom Count: 48

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	436.090665483
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
InChIKey	UATVVINGVDGCFD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	115.6
Topological Polar Surface Area	173.26
Polarizability	41.55
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16N2O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00