ethyl oxane-3-carboxylate

ethyl oxane-3-carboxylate

CAS: 118870-83-0

Formula: C8H14O3

SMILES: CCOC(=O)C1CCCOC1

IUPAC: ethyl oxane-3-carboxylate

InChI: InChI=1/C8H14O3/c1-2-11-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3

Composition: C (60.74%), H (8.92%), O (30.34%)

Molar Mass: 158.197

Atom Count: 25

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	158.094294311
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QWLVUZIISWEWFO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.76
Topological Polar Surface Area	35.53
Polarizability	16.23
Ring Count	1
Rotatable Bond Count	3

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