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ethyl 5-(cyclohexanecarbonyloxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

ethyl 5-(cyclohexanecarbonyloxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

Formula: C25H26O6

SMILES: CCOC(=O)C1=C(OC2=CC=C(OC(=O)C3CCCCC3)C=C12)C1=CC=C(OC)C=C1

IUPAC: ethyl 5-(cyclohexanecarbonyloxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

InChI: InChI=1S/C25H26O6/c1-3-29-25(27)22-20-15-19(30-24(26)17-7-5-4-6-8-17)13-14-21(20)31-23(22)16-9-11-18(28-2)12-10-16/h9-15,17H,3-8H2,1-2H3

Composition: C (71.07%), H (6.20%), O (22.72%)

Molar Mass: 422.477

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 422.172938557
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AZMHHYAAWYUBEL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 115.48
Topological Polar Surface Area 74.97
Polarizability 47.36
Ring Count 4
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H26O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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