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ethyl 10-oxo-11-azatricyclo[7.3.1.0²,?]trideca-2,4,6-triene-9-carboxylate

ethyl 10-oxo-11-azatricyclo[7.3.1.0²,?]trideca-2,4,6-triene-9-carboxylate

CAS: 1250999-42-8

Formula: C15H17NO3

SMILES: CCOC(=O)C12CC(CNC1=O)C1=CC=CC=C1C2

IUPAC: ethyl 10-oxo-11-azatricyclo[7.3.1.0²,?]trideca-2,4,6-triene-9-carboxylate

InChI: InChI=1/C15H17NO3/c1-2-19-14(18)15-7-10-5-3-4-6-12(10)11(8-15)9-16-13(15)17/h3-6,11H,2,7-9H2,1H3,(H,16,17)

Composition: C (69.48%), H (6.61%), N (5.40%), O (18.51%)

Molar Mass: 259.305

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 259.120843411
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VOJSVBDOUBJTDF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.37
Topological Polar Surface Area 55.4
Polarizability 27.42
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1250999-42-8 $442.26-$1,651.10$442.26$825.55$1,651.10
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