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Chemical ID: 3997989
Chemical ID:
3997989
Name [?]:
2-[(2,3,6-trimethylphenoxy)methyl]oxirane
SMILES [?]:
Cc1ccc(c(c1C)OCC2CO2)C
InChi [?]:
InChI=1/C12H16O2/c1-8-4-5-9(2)12(10(8)3)14-7-11-6-13-11/h4-5,11H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,8,3,4,12,10,2,5,7,11,6,13,9/rA:14cCCCCCCCCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s11s12;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.92868 |
Area: | 375.147 |
Solvation: | -3.45001 |
Coulombic: | -16.6099 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 192.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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