Chemical ID: 6680185

c1cc(ccc1CO)C#N
Chemical ID:
6680185
Name [?]:
4-(hydroxymethyl)benzonitrile
SMILES [?]:
c1cc(ccc1CO)C#N
InChi [?]:
InChI=1/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,9,7,3,6,10,8/E:(1,2)(3,4)/rA:10nCCCCCCCOCN/rB:s1;d2;s3;d4;d1s5;s6;s7;s3;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.30352
Area:304.227
Solvation:-2.30216
Coulombic:-20.9666
Bond Count [?]
All:10
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:133.147
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.93
LogP (Chemaxon):1.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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