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1,4-dioxane-2,5-diol

1,4-dioxane-2,5-diol

CAS: 23147-58-2

Formula: C4H8O4

SMILES: OC1COC(O)CO1

IUPAC: 1,4-dioxane-2,5-diol

InChI: InChI=1/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2

Composition: C (40.00%), H (6.71%), O (53.28%)

Molar Mass: 120.104

Atom Count: 16

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 120.042258738
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ATFVTAOSZBVGHC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 24.15
Topological Polar Surface Area 58.92
Polarizability 10.19
Ring Count 1
Rotatable Bond Count 0

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