Chemical ID: 6509539

COc1ccc(cc1)C(=NO)C#N
Chemical ID:
6509539
Name [?]:
2-hydroxyimino-2-(4-methoxyphenyl)-acetonitrile
SMILES [?]:
COc1ccc(cc1)C(=NO)C#N
InChi [?]:
InChI=1/C9H8N2O2/c1-13-8-4-2-7(3-5-8)9(6-10)11-12/h2-5,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,12,6,3,9,13,10,11,2/E:(2,3)(4,5)/rA:13nCOCCCCCCCNOCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s9;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.80531
Area:350.947
Solvation:-2.96836
Coulombic:-25.0719
Bond Count [?]
All:13
Single:8
Double:4
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:176.172
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.52
LogP (Chemaxon):1.67

Name Annotations

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Descriptor Annotations

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