Chemical ID: 4778123

CC(C)Cc1ccc(cc1)C(=O)CC2c3ccccc3C(=O)O2
Chemical ID:
4778123
Name [?]:
3-[2-(4-isobutylphenyl)-2-oxo-ethyl]-3H-isobenzofuran-1-one
SMILES [?]:
CC(C)Cc1ccc(cc1)C(=O)CC2c3ccccc3C(=O)O2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.30178
Area:529.257
Solvation:-3.92965
Coulombic:-29.0291
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.371
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.21
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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