(4E)-4-(3,4-dihydro-2H-1-benzopyran-6-ylmethylidene)-1-phenylpyrazolidine-3,5-dione

(4E)-4-(3,4-dihydro-2H-1-benzopyran-6-ylmethylidene)-1-phenylpyrazolidine-3,5-dione

Formula: C19H16N2O3

SMILES: O=C1NN(C(=O)C1=CC1=CC=C2OCCCC2=C1)C1=CC=CC=C1

IUPAC: (4E)-4-[(3,4-dihydro-2H-1-benzopyran-6-yl)methylidene]-1-phenylpyrazolidine-3,5-dione

InChI: InChI=1S/C19H16N2O3/c22-18-16(19(23)21(20-18)15-6-2-1-3-7-15)12-13-8-9-17-14(11-13)5-4-10-24-17/h1-3,6-9,11-12H,4-5,10H2,(H,20,22)/b16-12+

Composition: C (71.24%), H (5.03%), N (8.74%), O (14.98%)

Molar Mass: 320.348

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.116092383
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BGBRYPCPBMJADT-FOWTUZBSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.23
Topological Polar Surface Area	58.64
Polarizability	34.11
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00