Chemical ID: 6684725

C1CC(=O)OC1CO
Chemical ID:
6684725
Name [?]:
5-(hydroxymethyl)tetrahydrofuran-2-one
SMILES [?]:
C1CC(=O)OC1CO
InChi [?]:
InChI=1/C5H8O3/c6-3-4-1-2-5(7)8-4/h4,6H,1-3H2
InChi Info:
AuxInfo=1/0/N:1,2,7,6,3,8,4,5/rA:8cCCCOOCCO/rB:s1;s2;d3;s3;s1s5;s6;s7;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H8O3
All Atoms:8
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:2.15145
Area:260.917
Solvation:-4.37147
Coulombic:-32.073
Bond Count [?]
All:8
Single:7
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:116.115
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.45
LogP (Chemaxon):-0.37

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Experimental Annotations

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Descriptor Annotations

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