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Chemical ID: 7529176
Chemical ID:
7529176
Name [?]:
3-methoxy-4-(m-tolylmethoxy)benzonitrile
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2OC)C#N
InChi [?]:
InChI=1/C16H15NO2/c1-12-4-3-5-14(8-12)11-19-15-7-6-13(10-17)9-16(15)18-2/h3-9H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,3,5,12,11,7,14,18,8,2,13,6,10,15,19,16,9/rA:19nCCCCCCCCOCCCCCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO2 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.927 |
Area: | 469.778 |
Solvation: | -4.81744 |
Coulombic: | -18.7352 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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