2-methyl-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid

2-methyl-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid

Formula: C17H12N2O6

SMILES: CC1=C(C=CC=C1C1=CC=C(O1)C=C1C(=O)NC(=O)NC1=O)C(O)=O

IUPAC: 2-methyl-3-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoic acid

InChI: InChI=1S/C17H12N2O6/c1-8-10(3-2-4-11(8)16(22)23)13-6-5-9(25-13)7-12-14(20)18-17(24)19-15(12)21/h2-7H,1H3,(H,22,23)(H2,18,19,20,21,24)

Composition: C (60.00%), H (3.55%), N (8.23%), O (28.21%)

Molar Mass: 340.291

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	340.069536114
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	KLAFCIPTKLJLTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.82
Topological Polar Surface Area	125.71
Polarizability	33.04
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00