Chemical ID: 7310725

COc1ccc(c(c1)C(=O)C=Cc2ccc(cc2)C(=O)OC)OC
Chemical ID:
7310725
Name [?]:
methyl 4-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]benzoate
SMILES [?]:
COc1ccc(c(c1)C(=O)C=Cc2ccc(cc2)C(=O)OC)OC
InChi [?]:
InChI=1/C19H18O5/c1-22-15-9-11-18(23-2)16(12-15)17(20)10-6-13-4-7-14(8-5-13)19(21)24-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,14,18,12,15,17,4,11,5,8,13,16,3,7,9,6,19,10,20,2,23,21/E:(4,5)(7,8)/rA:24nCOCCCCCCCOCCCCCCCCCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s6;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18O5
All Atoms:42
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.74351
Area:556.994
Solvation:-6.18133
Coulombic:-42.1046
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:326.343
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):3.06

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Experimental Annotations

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Descriptor Annotations

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