Chemical ID: 4734856

COc1cc(cc(c1)OC)N=C=O
Chemical ID:
4734856
Name [?]:
1-isocyanato-3,5-dimethoxy-benzene
SMILES [?]:
COc1cc(cc(c1)OC)N=C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H9NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.33133
Area:349.24
Solvation:-3.39967
Coulombic:-25.0839
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:179.173
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.76
LogP (Chemaxon):1.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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