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Chemical ID: 5157107
Chemical ID:
5157107
Name [?]:
(8-acetoxy-11-bicyclo[5.4.0]undeca-2,4,7,9,11-pentaenyl) acetate
SMILES [?]:
CC(=O)Oc1ccc(c2c1CC=CC=C2)OC(=O)C
InChi [?]:
InChI=1/C15H14O4/c1-10(16)18-14-8-9-15(19-11(2)17)13-7-5-3-4-6-12(13)14/h3-6,8-9H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:19,1,13,14,12,15,11,7,6,17,2,9,10,8,5,18,3,16,4/rA:19nCCOOCCCCCCCCCCCOCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s13;s9d14;s8;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.22628 |
Area: | 433.778 |
Solvation: | -2.61818 |
Coulombic: | -36.1674 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 258.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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