Chemical ID: 5224709

C1=CC2=CC(=O)OC2C(C1O)O
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue