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4-(2,4-dimethoxyphenyl)-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-ene-3,5-dione

4-(2,4-dimethoxyphenyl)-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-ene-3,5-dione

Formula: C19H19NO4

SMILES: COC1=CC=C(N2C(=O)C3C(C4C=CC3C3CC43)C2=O)C(OC)=C1

IUPAC: 4-(2,4-dimethoxyphenyl)-4-azatetracyclo[5.3.2.0²,?.0?,¹?]dodec-11-ene-3,5-dione

InChI: InChI=1/C19H19NO4/c1-23-9-3-6-14(15(7-9)24-2)20-18(21)16-10-4-5-11(13-8-12(10)13)17(16)19(20)22/h3-7,10-13,16-17H,8H2,1-2H3

Composition: C (70.14%), H (5.89%), N (4.31%), O (19.67%)

Molar Mass: 325.364

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 6
Exact Mass 325.131408096
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ZCBXUCLMMLRDJP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.54
Topological Polar Surface Area 55.84
Polarizability 33.75
Ring Count 5
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H19NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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