Chemical ID: 5576158

COc1cc2c(cc1OC)C(C2)C#N
Chemical ID:
5576158
Name [?]:
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
SMILES [?]:
COc1cc2c(cc1OC)C(C2)C#N
InChi [?]:
InChI=1/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,12,4,7,13,5,11,6,3,8,14,2,9/rA:14cCOCCCCCCOCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s5s11;s11;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:4.39555
Area:368.885
Solvation:-4.82656
Coulombic:-16.1049
Bond Count [?]
All:15
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.76
LogP (Chemaxon):1.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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