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Chemical ID: 7150770
Chemical ID:
7150770
Name [?]:
(2-allyl-4-formyl-6-methoxy-phenyl) naphthalene-1-carboxylate
SMILES [?]:
COc1cc(cc(c1OC(=O)c2cccc3c2cccc3)CC=C)C=O
InChi [?]:
InChI=1/C22H18O4/c1-3-7-17-12-15(14-23)13-20(25-2)21(17)26-22(24)19-11-6-9-16-8-4-5-10-18(16)19/h3-6,8-14H,1,7H2,2H3
InChi Info:
AuxInfo=1/0/N:24,1,23,20,19,14,22,21,15,18,13,6,4,25,5,16,7,17,12,3,8,10,26,11,2,9/rA:26nCOCCCCCCOCOCCCCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s7;s22;d23;s5;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O4 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70422 |
Area: | 561.823 |
Solvation: | -4.34135 |
Coulombic: | -38.1566 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.21 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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