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Chemical ID: 4944253
Chemical ID:
4944253
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)CCC3=O
InChi [?]:
InChI=1/C13H12O2/c14-11-5-6-12(15)13(11)8-7-9-3-1-2-4-10(9)13/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,7,8,5,4,10,14,9,11,15/E:(5,6)(11,12)(14,15)/rA:15nCCCCCCCCCCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.64211 |
Area: | 353.854 |
Solvation: | -3.20425 |
Coulombic: | -14.1079 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 200.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.47 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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