Chemical ID: 6879610

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C(C)C
Chemical ID:
6879610
Name [?]:
[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] 2-methylpropanoate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)C(C)C
InChi [?]:
InChI=1/C21H20O5/c1-12(2)21(23)26-20-18(22)16-11-13(3)5-10-17(16)25-19(20)14-6-8-15(24-4)9-7-14/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:25,26,1,20,3,14,18,15,17,4,7,24,2,13,16,6,5,8,11,10,22,9,23,19,12,21/E:(1,2)(6,7)(8,9)/rA:26nCCCCCCCCOCCOCCCCCCOCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O5
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.94716
Area:555.116
Solvation:-3.93073
Coulombic:-44.337
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.38
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):4.52

Name Annotations

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Descriptor Annotations

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