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Nalidixic acid

CAT: 0926-AN16320-01Size: 0.05 kgDry Ice: NoHazardous: No
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CAT#:0926-AN16320-01Size:0.05 kg
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CAS Number
389-08-2
Synonyms
1,4-Dihydro-1-ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid
MDL Number
MFCD00006884
Smiles
CCN1C=C (C (=O) C2=C1N=C (C=C2) C) C (=O) O
Molecular Formula
C12H12N2O3
Molecular Weight
232.24 g/mol
Controlled
No

Chemical Information

Nalidixic Acid

Nalidixic Acid can cause cancer according to The National Toxicology Program.

CAS Number389-08-2
PubChem CID4421
IUPAC Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular FormulaC12H12N2O3
Molecular Weight232.23
XLogP1.4
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity378
SMILES
CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)O
InChI
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey
MHWLWQUZZRMNGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nalidixic Acid
CAS: 389-08-2
CID: 4421
Formula: C12H12N2O3
MW: 232.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.23
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass232.08479225
Monoisotopic Mass232.08479225
Topological Polar Surface Area70.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
B1985-50Nalidixic acid

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