ChemDB: Chemical Search
Download
Chemical ID: 5184772
Chemical ID:
5184772
Name [?]:
[2-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-3-yl]methanol
SMILES [?]:
C1CC2C(C(C1O2)CO)CO
InChi [?]:
InChI=1/C8H14O3/c9-3-5-6(4-10)8-2-1-7(5)11-8/h5-10H,1-4H2
InChi Info:
AuxInfo=1/0/N:1,2,8,10,5,4,6,3,9,11,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:11cCCCCCCOCOCO/rB:s1;s2;s3;s4;s1s5;s3s6;s5;s8;s4;s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 3.68058 |
Area: | 307.061 |
Solvation: | -3.99595 |
Coulombic: | -40.5735 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 158.195 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.56 |
LogP (Chemaxon): | -0.59 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|