Chemical ID: 5077627

Cc1cc(c(c(c1)[N+](=O)[O-])C)C(=O)O
Chemical ID:
5077627
Name [?]:
2,5-dimethyl-3-nitro-benzoic acid
SMILES [?]:
Cc1cc(c(c(c1)[N+](=O)[O-])C)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H9NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:2.09369
Area:347.533
Solvation:-6.59464
Coulombic:-39.0166
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.172
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.07
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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