C1COCC2C1O2
CAS: 286-22-6
Название: 3,7-dioxabicyclo[4.1.0]heptane
SMILES: C1COCC2C1O2

Molecular Processing

Molecular formula
C5H8O2
Molecular weight
100.12
Exact mass
100.0524
XLogP
0.17
TPSA
21.76
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
24.1

Supplementary Information

InChIKey: XGDSKVZBNGTARC-UHFFFAOYSA-N
Синонимы
3,7-dioxabicyclo[4.1.0]heptane286-22-6DTXSID304759443,7-Dioxabicyclo(4.1.0)heptaneRefChem:272639DTXCID30426754872-561-7MFCD112268533,4-epoxytetrahydropyran3,7-dioxa-bicyclo[4.1.0]heptane4,7-dioxabicyclo[4.1.0]heptaneSCHEMBL1313014(+/-)3,4-epoxytetrahydropyranXGDSKVZBNGTARC-UHFFFAOYSA-NSBB0851471,5:3,4-Dianhydro-2-deoxypentitolAKOS005260020SB11791BS-12726SY098970DB-193638CS-0051589EN300-68902(1SR,6RS)-3,7-dioxabicyclo[4.1.0]heptaneP11116F502010Z440605384
Источник
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