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methyl 3-(2-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

methyl 3-(2-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

Formula: C17H17NO5

SMILES: COC(=O)C1C2OC3(CN(C(=O)C13)C1=CC=CC=C1OC)C=C2

IUPAC: methyl 3-(2-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

InChI: InChI=1/C17H17NO5/c1-21-11-6-4-3-5-10(11)18-9-17-8-7-12(23-17)13(16(20)22-2)14(17)15(18)19/h3-8,12-14H,9H2,1-2H3

Composition: C (64.75%), H (5.43%), N (4.44%), O (25.37%)

Molar Mass: 315.325

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 315.110672651
Formal Charge 0
FSP3 0.41
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BIRNAPJPYSZWAB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.96
Topological Polar Surface Area 65.07
Polarizability 31.54
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H17NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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