oxepane-2,7-dione

oxepane-2,7-dione

CAS: 2035-75-8

Formula: C6H8O3

SMILES: O=C1CCCCC(=O)O1

IUPAC: oxepane-2,7-dione

InChI: InChI=1S/C6H8O3/c7-5-3-1-2-4-6(8)9-5/h1-4H2

Composition: C (56.25%), H (6.29%), O (37.46%)

Molar Mass: 128.127

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	128.047344118
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JPSKCQCQZUGWNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.53
Topological Polar Surface Area	43.37
Polarizability	11.97
Ring Count	1
Rotatable Bond Count	0

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