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Chemical ID: 7470907
Chemical ID:
7470907
Name [?]:
(2-formyl-6-methoxy-phenyl) 3-(p-tolyl)prop-2-enoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)Oc2c(cccc2OC)C=O
InChi [?]:
InChI=1/C18H16O4/c1-13-6-8-14(9-7-13)10-11-17(20)22-18-15(12-19)4-3-5-16(18)21-2/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,15,17,3,7,4,6,8,9,21,2,5,14,18,10,13,22,11,19,12/E:(6,7)(8,9)/rA:22nCCCCCCCCCCOOCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s14;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64146 |
Area: | 513.733 |
Solvation: | -4.20188 |
Coulombic: | -35.6194 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 296.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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