Chemical ID: 4942566

COc1ccc(cc1)Cc2cc3c(cc2OCC(=O)O)OCO3
Chemical ID:
4942566
Name [?]:
2-[6-[(4-methoxyphenyl)methyl]benzo[1,3]dioxol-5-yl]oxyacetic acid
SMILES [?]:
COc1ccc(cc1)Cc2cc3c(cc2OCC(=O)O)OCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H16O6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.38549
Area:505.235
Solvation:-6.2454
Coulombic:-57.436
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.305
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.75
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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