Chemical ID: 6464986

COc1ccc(cc1OC)C(=O)Oc2c(cc(cc2OC)C=O)OC
Chemical ID:
6464986
Name [?]:
(4-formyl-2,6-dimethoxy-phenyl) 3,4-dimethoxybenzoate
SMILES [?]:
COc1ccc(cc1OC)C(=O)Oc2c(cc(cc2OC)C=O)OC
InChi [?]:
InChI=1/C18H18O7/c1-21-13-6-5-12(9-14(13)22-2)18(20)25-17-15(23-3)7-11(10-19)8-16(17)24-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,21,25,5,4,18,16,7,22,17,6,3,8,19,15,14,11,23,12,2,9,20,24,13/E:(3,4)(7,8)(15,16)(23,24)/rA:25nCOCCCCCCOCCOOCCCCCCOCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;d22;s15;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18O7
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.70992
Area:556.953
Solvation:-9.2139
Coulombic:-53.7613
Bond Count [?]
All:26
Single:18
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:346.331
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.21
LogP (Chemaxon):1.94

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Descriptor Annotations

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