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1,4-dioxepan-6-ol

1,4-dioxepan-6-ol

CAS: 28544-95-8

Formula: C5H10O3

SMILES: OC1COCCOC1

IUPAC: 1,4-dioxepan-6-ol

InChI: InChI=1S/C5H10O3/c6-5-3-7-1-2-8-4-5/h5-6H,1-4H2

Composition: C (50.84%), H (8.53%), O (40.63%)

Molar Mass: 118.132

Atom Count: 18

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 118.062994182
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RINRJHHBMASRLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.05
Topological Polar Surface Area 38.69
Polarizability 11.29
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 28544-95-8 $285.20-$500.25$285.20$500.25
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