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Chemical ID: 4561271
Chemical ID:
4561271
Name [?]:
None
SMILES [?]:
CC1=CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
InChi [?]:
InChI=1/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h5,7,11,13H,2,4,6,8H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,8,11,2,15,9,7,10,13,6,14,12/rA:17cCCCCCCCCCCCOCOCCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;s9;s6s10;s10;s12;d13;s9s13;d15;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.33288 |
Area: | 379.983 |
Solvation: | -2.16671 |
Coulombic: | -21.5255 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 230.302 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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