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9-oxo-1-azatricyclo[6.3.1.0?,¹²]dodeca-4,6,10-triene-10-carboxylic acid

9-oxo-1-azatricyclo[6.3.1.0?,¹²]dodeca-4,6,10-triene-10-carboxylic acid

Formula: C12H11NO3

SMILES: OC(=O)C1=CN2CCC3=CC=CC(C23)C1=O

IUPAC: 9-oxo-1-azatricyclo[6.3.1.0?,¹²]dodeca-4,6,10-triene-10-carboxylic acid

InChI: InChI=1/C12H11NO3/c14-11-8-3-1-2-7-4-5-13(10(7)8)6-9(11)12(15)16/h1-3,6,8,10H,4-5H2,(H,15,16)

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 217.073893218
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BRELBFBIXZJBFE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.71
Topological Polar Surface Area 57.61
Polarizability 21.68
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H11NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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