Chemical ID: 7047543

CCOc1ccc2cc(c(=O)oc2c1)C(=O)OCC
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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Descriptor Annotations

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