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Chemical ID: 7047543
Chemical ID:
7047543
Name [?]:
ethyl 7-ethoxy-2-oxo-chromene-3-carboxylate
SMILES [?]:
CCOc1ccc2cc(c(=O)oc2c1)C(=O)OCC
InChi [?]:
InChI=1/C14H14O5/c1-3-17-10-6-5-9-7-11(13(15)18-4-2)14(16)19-12(9)8-10/h5-8H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,6,5,8,14,7,4,9,13,15,10,16,11,3,17,12/rA:19nCCOCCCCCCCOOCCCOOCC/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;s10;d7s12;d4s13;s9;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O5 |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16334 |
Area: | 456.124 |
Solvation: | -4.23975 |
Coulombic: | -44.4688 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.258 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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