(2E)-4-{4-[(2E)-3-carboxyprop-2-enoyl]piperazin-1-yl}-4-oxobut-2-enoic acid

(2E)-4-{4-[(2E)-3-carboxyprop-2-enoyl]piperazin-1-yl}-4-oxobut-2-enoic acid

Formula: C12H14N2O6

SMILES: OC(=O)C=CC(=O)N1CCN(CC1)C(=O)C=CC(O)=O

IUPAC: (2E)-4-{4-[(2E)-3-carboxyprop-2-enoyl]piperazin-1-yl}-4-oxobut-2-enoic acid

InChI: InChI=1S/C12H14N2O6/c15-9(1-3-11(17)18)13-5-7-14(8-6-13)10(16)2-4-12(19)20/h1-4H,5-8H2,(H,17,18)(H,19,20)/b3-1+,4-2+

Composition: C (51.07%), H (5.00%), N (9.93%), O (34.01%)

Molar Mass: 282.252

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	282.085186179
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	HOIDOFIZVWXXMG-ZPUQHVIOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.51
Topological Polar Surface Area	115.22
Polarizability	25.31
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H14N2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00