Chemical ID: 6879609

CCCC(=O)Oc1c(=O)c2cc(ccc2oc1c3ccc(cc3)OC)C
Chemical ID:
6879609
Name [?]:
[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] butanoate
SMILES [?]:
CCCC(=O)Oc1c(=O)c2cc(ccc2oc1c3ccc(cc3)OC)C
InChi [?]:
InChI=1/C21H20O5/c1-4-5-18(22)26-21-19(23)16-12-13(2)6-11-17(16)25-20(21)14-7-9-15(24-3)10-8-14/h6-12H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,2,3,13,19,23,20,22,14,11,12,18,21,10,15,4,8,17,7,5,9,24,16,6/E:(7,8)(9,10)/rA:26nCCCCOOCCOCCCCCCOCCCCCCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O5
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1775
Area:563.522
Solvation:-3.91057
Coulombic:-44.1001
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.38
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.92
LogP (Chemaxon):4.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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