Chemical ID: 3999012

c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2
Chemical ID:
3999012
Name [?]:
4-(2,6-dioxabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)-4-oxo-butanoic acid
SMILES [?]:
c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H14O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.50702
Area:432.114
Solvation:-5.29583
Coulombic:-47.1292
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.247
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.21
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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