Chemical ID: 4554536

CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3ccccc3
Chemical ID:
4554536
Name [?]:
ethyl 2-(4-oxo-3-phenoxy-chromen-7-yl)oxypropanoate
SMILES [?]:
CCOC(=O)C(C)Oc1ccc2c(c1)occ(c2=O)Oc3ccccc3
InChi [?]:
InChI=1/C20H18O6/c1-3-23-20(22)13(2)25-15-9-10-16-17(11-15)24-12-18(19(16)21)26-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,24,23,25,22,26,10,11,14,16,6,21,9,12,13,17,18,4,19,5,3,15,8,20/E:(5,6)(7,8)/rA:26cCCOCOCCOCCCCCCOCCCOOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s12s17;d18;s17;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.26228
Area:572.968
Solvation:-5.06191
Coulombic:-52.4239
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.353
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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