(2R,6S)-4-oxatricyclo[5.2.1.0²,?]decane-3,5-dione

(2R,6S)-4-oxatricyclo[5.2.1.0²,?]decane-3,5-dione

CAS: 14166-28-0

Formula: C9H10O3

SMILES: O=C1OC(=O)[C@@H]2C3CCC(C3)[C@H]12

IUPAC: (2R,6S)-4-oxatricyclo[5.2.1.0²,?]decane-3,5-dione

InChI: InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h4-7H,1-3H2/t4?,5?,6-,7+

Composition: C (65.05%), H (6.07%), O (28.88%)

Molar Mass: 166.176

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	166.062994182
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LQOPXMZSGSTGMF-CYDAGYADSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.57
Topological Polar Surface Area	43.37
Polarizability	16.02
Ring Count	3
Rotatable Bond Count	0

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