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3-hydroxyoxan-4-one

3-hydroxyoxan-4-one

CAS: 72250-01-2

Formula: C5H8O3

SMILES: OC1COCCC1=O

IUPAC: 3-hydroxyoxan-4-one

InChI: InChI=1/C5H8O3/c6-4-1-2-8-3-5(4)7/h5,7H,1-3H2

Composition: C (51.72%), H (6.94%), O (41.34%)

Molar Mass: 116.116

Atom Count: 16

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 116.047344118
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AONISXKJRMECRD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.83
Topological Polar Surface Area 46.53
Polarizability 10.69
Ring Count 1
Rotatable Bond Count 0

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