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Chemical ID: 7048153
Chemical ID:
7048153
Name [?]:
2-[(2-ethoxyphenyl)methylene]-6-methoxy-benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OC
InChi [?]:
InChI=1/C18H16O4/c1-3-21-15-7-5-4-6-12(15)10-17-18(19)14-9-8-13(20-2)11-16(14)22-17/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,7,6,8,5,16,15,10,18,9,17,14,4,19,11,12,13,21,3,20/rA:22nCCOCCCCCCCCCOCCCCCCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47629 |
Area: | 503.518 |
Solvation: | -4.11165 |
Coulombic: | -33.2488 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.317 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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