Chemical ID: 4931174

CCOC(=O)C1(Cc2ccc(cc2C1=O)C)Cc3ccc(cc3)C
Chemical ID:
4931174
Name [?]:
ethyl 6-methyl-1-oxo-2-(p-tolylmethyl)indane-2-carboxylate
SMILES [?]:
CCOC(=O)C1(Cc2ccc(cc2C1=O)C)Cc3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.46987
Area:500.737
Solvation:-3.04856
Coulombic:-27.7978
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.398
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.47
LogP (Chemaxon):4.93

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