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5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Formula: C12H10N2O4

SMILES: COC1=CC=C(C=C2C(=O)NC(=O)NC2=O)C=C1

IUPAC: 5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C12H10N2O4/c1-18-8-4-2-7(3-5-8)6-9-10(15)13-12(17)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,17)

Composition: C (58.54%), H (4.09%), N (11.38%), O (25.99%)

Molar Mass: 246.222

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.06405681
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IWKTUKNFSHWMNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.58
Topological Polar Surface Area 84.5
Polarizability 23.64
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H10N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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