Chemical ID: 4358613

CC1(OC(=O)C(=Cc2ccccc2Cl)C(=O)O1)C(C)(C)C
Chemical ID:
4358613
Name [?]:
5-[(2-chlorophenyl)methylene]-2-methyl-2-tert-butyl-1,3-dioxane-4,6-dione
SMILES [?]:
CC1(OC(=O)C(=Cc2ccccc2Cl)C(=O)O1)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17ClO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.67507
Area:480.401
Solvation:-2.33495
Coulombic:-41.3057
Bond Count [?]
All:22
Single:16
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:308.756
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.56
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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