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Chemical ID: 7658742
Chemical ID:
7658742
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(c(c1)C(=O)O)OC
InChi [?]:
InChI=1/C12H16O3/c1-12(2,3)8-5-6-10(15-4)9(7-8)11(13)14/h5-7H,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,6,7,10,5,9,8,11,2,12,13,14/E:(1,2,3)(13,14)/rA:15nCCCCCCCCCCCOOOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;d11;s11;s8;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O3 |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.47618 |
Area: | 382.729 |
Solvation: | -3.09203 |
Coulombic: | -35.3704 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.37 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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