Chemical ID: 7117727

COc1cccc2c1oc(=O)c(c2)C(=O)[O-]
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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