Chemical ID: 5728956

Cc1ccc(cc1)C(=O)OCc2cc(=O)oc3c2ccc(c3)OC
Chemical ID:
5728956
Name [?]:
(7-methoxy-2-oxo-chromen-4-yl)methyl 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)OCc2cc(=O)oc3c2ccc(c3)OC
InChi [?]:
InChI=1/C19H16O5/c1-12-3-5-13(6-4-12)19(21)23-11-14-9-18(20)24-17-10-15(22-2)7-8-16(14)17/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,3,7,4,6,20,19,13,22,11,2,5,12,21,18,17,14,8,15,9,23,10,16/E:(3,4)(5,6)/rA:24nCCCCCCCCOOCCCCOOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;s14;s16;s12s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.1363
Area:535.145
Solvation:-4.24232
Coulombic:-46.6381
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.327
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.69
LogP (Chemaxon):3.65

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Descriptor Annotations

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