Chemical ID: 4662914

c1ccc(c(c1)C(C#N)O)[N+](=O)[O-]
Chemical ID:
4662914
Name [?]:
2-hydroxy-2-(2-nitrophenyl)-acetonitrile
SMILES [?]:
c1ccc(c(c1)C(C#N)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H6N2O3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4,8,11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,5,4,7,9,11,10,12,13/E:(12,13)/CRV:10.5/rA:13cCCCCCCCCNON+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;t8;s7;s4;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:1.24098
Area:333.89
Solvation:-7.10626
Coulombic:-32.5902
Bond Count [?]
All:13
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.145
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.34
LogP (Chemaxon):1.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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