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Chemical ID: 7245177
Chemical ID:
7245177
Name [?]:
2-[4-(oxiran-2-ylmethoxy)phenyl]acetonitrile
SMILES [?]:
c1cc(ccc1CC#N)OCC2CO2
InChi [?]:
InChI=1/C11H11NO2/c12-6-5-9-1-3-10(4-2-9)13-7-11-8-14-11/h1-4,11H,5,7-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,8,11,13,6,3,12,9,10,14/E:(1,2)(3,4)/rA:14cCCCCCCCCNOCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s3;s10;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.97294 |
Area: | 390.182 |
Solvation: | -4.78162 |
Coulombic: | -17.9368 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 189.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.11 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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