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Chemical ID: 7117727
Chemical ID:
7117727
Name [?]:
8-methoxy-2-oxo-chromene-3-carboxylate
SMILES [?]:
COc1cccc2c1oc(=O)c(c2)C(=O)[O-]
InChi [?]:
InChI=1/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,6,4,13,7,12,3,8,14,10,15,16,11,2,9/E:(12,13)/rA:16nCOCCCCCCOCOCCCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s7d12;s12;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7O5- |
All Atoms: | 23 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.5508 |
Area: | 372.304 |
Solvation: | -45.8584 |
Coulombic: | -26.4262 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.17 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.74 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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