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Chemical ID: 4742226
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
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Experimental Annotations
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Descriptor Annotations
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