Chemical ID: 4498026

CC1(CC(=O)c2c(cc(cc2O1)OCc3ccc(cc3)C(=O)OC)O)C
Chemical ID:
4498026
Name [?]:
methyl 4-[(5-hydroxy-2,2-dimethyl-4-oxo-chroman-7-yl)oxymethyl]benzoate
SMILES [?]:
CC1(CC(=O)c2c(cc(cc2O1)OCc3ccc(cc3)C(=O)OC)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.44258
Area:565.308
Solvation:-5.69011
Coulombic:-57.8106
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.369
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.43
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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