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Chemical ID: 7559987
Chemical ID:
7559987
Name [?]:
None
SMILES [?]:
c1cc(c2c(c1O)C3CC2C=C3)O
InChi [?]:
InChI=1/C11H10O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h1-4,6-7,12-13H,5H2
InChi Info:
AuxInfo=1/0/N:11,12,2,1,9,10,8,3,6,4,5,13,7/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:13cCCCCCCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s5;s8;s4s9;s10;s8d11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10O2 |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.63604 |
Area: | 320.887 |
Solvation: | -2.38614 |
Coulombic: | -33.1249 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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