Chemical ID: 5818863

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)OC
Chemical ID:
5818863
Name [?]:
(4-methoxycarbonylphenyl) 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C16H14O5/c1-19-13-7-3-12(4-8-13)16(18)21-14-9-5-11(6-10-14)15(17)20-2/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,5,7,14,16,4,8,13,17,15,6,3,12,18,9,19,10,2,20,11/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCOCCCCCCCOOCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.72082
Area:496.964
Solvation:-3.70328
Coulombic:-47.517
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:286.279
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):2.57

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Descriptor Annotations

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