Chemical ID: 4116122

CCOc1ccc(cc1)CC#N
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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