2-oxo-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl N-methylcarbamate

2-oxo-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl N-methylcarbamate

CAS: 866156-24-3

Formula: C16H13NO4

SMILES: CNC(=O)OC1=CC2=C(OCC3=C(C=CC=C3)C2=O)C=C1

IUPAC: 2-oxo-9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl N-methylcarbamate

InChI: InChI=1S/C16H13NO4/c1-17-16(19)21-11-6-7-14-13(8-11)15(18)12-5-3-2-4-10(12)9-20-14/h2-8H,9H2,1H3,(H,17,19)

Composition: C (67.84%), H (4.63%), N (4.94%), O (22.59%)

Molar Mass: 283.283

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	283.084457903
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MCJVQRBDTYTNDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.36
Topological Polar Surface Area	64.63
Polarizability	29.33
Ring Count	3
Rotatable Bond Count	2

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