Chemical ID: 5034352

COC(=O)C=C1CCc2ccccc2C1=O
Chemical ID:
5034352
Name [?]:
methyl 2-(1-oxotetralin-2-ylidene)acetate
SMILES [?]:
COC(=O)C=C1CCc2ccccc2C1=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H12O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.37547
Area:389.481
Solvation:-2.36156
Coulombic:-28.677
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:216.233
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.88
LogP (Chemaxon):2.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue