(2E)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid

(2E)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid

Formula: C16H20N2O3

SMILES: CC1=C(C)C(=CC=C1)N1CCN(CC1)C(=O)C=CC(O)=O

IUPAC: (2E)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid

InChI: InChI=1S/C16H20N2O3/c1-12-4-3-5-14(13(12)2)17-8-10-18(11-9-17)15(19)6-7-16(20)21/h3-7H,8-11H2,1-2H3,(H,20,21)/b7-6+

Composition: C (66.65%), H (6.99%), N (9.72%), O (16.65%)

Molar Mass: 288.347

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.147392512
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BMXLOLRRPAHQFF-VOTSOKGWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.85
Topological Polar Surface Area	60.85
Polarizability	30.49
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H20N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00