ChemDB: Chemical Search
Download
Chemical ID: 5224709
Chemical ID:
5224709
Name [?]:
6,7-dihydroxy-7,7a-dihydro-6H-benzofuran-2-one
SMILES [?]:
C1=CC2=CC(=O)OC2C(C1O)O
InChi [?]:
InChI=1/C8H8O4/c9-5-2-1-4-3-6(10)12-8(4)7(5)11/h1-3,5,7-9,11H
InChi Info:
AuxInfo=1/0/N:2,1,4,3,10,5,9,8,11,6,12,7/rA:12cCCCCCOOCCCOO/rB:d1;s2;d3;s4;d5;s5;s3s7;s8;s1s9;s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 3.29398 |
Area: | 310.604 |
Solvation: | -4.47111 |
Coulombic: | -52.5423 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.147 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.56 |
LogP (Chemaxon): | -0.5 |
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 |
---|