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4-(2-hydroxyethyl)-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-(2-hydroxyethyl)-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

CAS: 32620-90-9

Formula: C10H11NO4

SMILES: OCCN1C(=O)C2C3OC(C=C3)C2C1=O

IUPAC: 4-(2-hydroxyethyl)-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C10H11NO4/c12-4-3-11-9(13)7-5-1-2-6(15-5)8(7)10(11)14/h1-2,5-8,12H,3-4H2

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 209.068807838
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ISKZEUQQPPVQNW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.35
Topological Polar Surface Area 66.84
Polarizability 19.44
Ring Count 3
Rotatable Bond Count 2

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