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Fusaric acid

CAT: 0024-sc-202616BSize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-202616BSize:1 g
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CAS Number
536-69-6

Chemical Information

Fusaric Acid

Fusaric acid is a member of pyridines and an aromatic carboxylic acid.

CAS Number536-69-6
PubChem CID3442
IUPAC Name5-butylpyridine-2-carboxylic acid
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP2.6
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity170
SMILES
CCCCC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
DGMPVYSXXIOGJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fusaric Acid
CAS: 536-69-6
CID: 3442
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area50.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity170
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