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2-{2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}propanoic acid

2-{2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}propanoic acid

CAS: 135980-46-0

Formula: C15H11NO4

SMILES: CC(N1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23)C(O)=O

IUPAC: 2-{2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}propanoic acid

InChI: InChI=1/C15H11NO4/c1-8(15(19)20)16-13(17)10-6-2-4-9-5-3-7-11(12(9)10)14(16)18/h2-8H,1H3,(H,19,20)

Composition: C (66.91%), H (4.12%), N (5.20%), O (23.77%)

Molar Mass: 269.256

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 269.068807838
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KIMLTYQVHBXGLG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.24
Topological Polar Surface Area 74.68
Polarizability 27.68
Ring Count 3
Rotatable Bond Count 2

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95% <2 Days 135980-46-0 $404.27$404.27
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