Chemical ID: 4956701

CC(=O)Oc1ccc(cc1OC)C=CC(=O)c2ccc(c(c2)OC)OC(=O)C
Chemical ID:
4956701
Name [?]:
[4-[3-(4-acetoxy-3-methoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(cc1OC)C=CC(=O)c2ccc(c(c2)OC)OC(=O)C
InChi [?]:
InChI=1/C21H20O7/c1-13(22)27-18-9-6-15(11-20(18)25-3)5-8-17(24)16-7-10-19(28-14(2)23)21(12-16)26-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,12,24,13,7,18,14,6,19,9,22,2,26,8,17,15,5,20,10,21,3,27,16,11,23,4,25/rA:28nCCOOCCCCCCOCCCCOCCCCCCOCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20O7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.54637
Area:602.719
Solvation:-7.52159
Coulombic:-56.8907
Bond Count [?]
All:29
Single:19
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:384.379
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.71
LogP (Chemaxon):2.51

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Descriptor Annotations

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