4-hydroxy-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-hydroxy-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

CAS: 5596-17-8

Formula: C8H7NO4

SMILES: ON1C(=O)C2C3OC(C=C3)C2C1=O

IUPAC: 4-hydroxy-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C8H7NO4/c10-7-5-3-1-2-4(13-3)6(5)8(11)9(7)12/h1-6,12H

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	181.037507709
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PPVGNPSAUJFBJY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.92
Topological Polar Surface Area	66.84
Polarizability	15.81
Ring Count	3
Rotatable Bond Count	0

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