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8-oxo-3,14-dioxa-7-azatetracyclo[9.2.1.0¹,?.0²,?]tetradec-12-ene-10-carboxylic acid

8-oxo-3,14-dioxa-7-azatetracyclo[9.2.1.0¹,?.0²,?]tetradec-12-ene-10-carboxylic acid

Formula: C12H13NO5

SMILES: OC(=O)C1C2OC3(C=C2)C2OCCCN2C(=O)C13

IUPAC: 8-oxo-3,14-dioxa-7-azatetracyclo[9.2.1.0¹,?.0²,?]tetradec-12-ene-10-carboxylic acid

InChI: InChI=1/C12H13NO5/c14-9-8-7(10(15)16)6-2-3-12(8,18-6)11-13(9)4-1-5-17-11/h2-3,6-8,11H,1,4-5H2,(H,15,16)

Composition: C (57.37%), H (5.22%), N (5.58%), O (31.84%)

Molar Mass: 251.238

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 251.079372523
Formal Charge 0
FSP3 0.67
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey IUOYQEHMOHDDDU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.63
Topological Polar Surface Area 76.07
Polarizability 22.96
Ring Count 4
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C12H13NO5 $518.71$518.71
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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H13NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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