Chemical ID: 4742226

c1cc(c2c(c1)oc(cc2=O)C(=O)O)O
Chemical ID:
4742226
Name [?]:
5-hydroxy-4-oxo-chromene-2-carboxylic acid
SMILES [?]:
c1cc(c2c(c1)oc(cc2=O)C(=O)O)O
InChi [?]:
InChI=1/C10H6O5/c11-5-2-1-3-7-9(5)6(12)4-8(15-7)10(13)14/h1-4,11H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,3,10,5,8,4,12,15,11,13,14,7/E:(13,14)/rA:15nCCCCCCOCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s9;d10;s8;d12;s12;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6O5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.91182
Area:354.98
Solvation:-3.96267
Coulombic:-58.7378
Bond Count [?]
All:16
Single:10
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.152
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.9
LogP (Chemaxon):1.82

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