Chemical ID: 3969196

c1cc(cc(c1)C(=O)O)C(=O)O
Chemical ID:
3969196
Name [?]:
isophthalic acid
SMILES [?]:
c1cc(cc(c1)C(=O)O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H6O4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.71376
Area:325.745
Solvation:-2.42986
Coulombic:-55.3675
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.131
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.25
LogP (Chemaxon):1.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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