methyl 4-oxooxane-3-carboxylate

methyl 4-oxooxane-3-carboxylate

CAS: 127956-11-0

Formula: C7H10O4

SMILES: COC(=O)C1COCCC1=O

IUPAC: methyl 4-oxooxane-3-carboxylate

InChI: InChI=1/C7H10O4/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3

Composition: C (53.16%), H (6.37%), O (40.46%)

Molar Mass: 158.153

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	158.057908802
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SOWMVLQIMWETEK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.55
Topological Polar Surface Area	52.6
Polarizability	14.55
Ring Count	1
Rotatable Bond Count	2

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