Chemical ID: 5157107

CC(=O)Oc1ccc(c2c1CC=CC=C2)OC(=O)C
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

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