Chemical ID: 4729163

CC=CC(=O)c1cc(c(cc1OC)C)OC
Chemical ID:
4729163
Name [?]:
1-(2,5-dimethoxy-4-methyl-phenyl)but-2-en-1-one
SMILES [?]:
CC=CC(=O)c1cc(c(cc1OC)C)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H16O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.19723
Area:402.783
Solvation:-4.87236
Coulombic:-21.6776
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:220.264
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.73
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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