Chemical ID: 5872026

c1cc2c(cc1CC#N)OCO2
Chemical ID:
5872026
Name [?]:
2-benzo[1,3]dioxol-5-ylacetonitrile
SMILES [?]:
c1cc2c(cc1CC#N)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H7NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.05076
Area:326.377
Solvation:-3.10867
Coulombic:-18.5707
Bond Count [?]
All:13
Single:9
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.32
LogP (Chemaxon):1.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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