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Chemical ID: 4116122
Chemical ID:
4116122
Name [?]:
2-(4-ethoxyphenyl)acetonitrile
SMILES [?]:
CCOc1ccc(cc1)CC#N
InChi [?]:
InChI=1/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,5,9,10,11,7,4,12,3/E:(3,4)(5,6)/rA:12nCCOCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;t11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.0574 |
Area: | 351.661 |
Solvation: | -2.73411 |
Coulombic: | -10.3676 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 161.2 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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