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5-Cyclopropylpicolinic acid

CAT: 0127-OR306657-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR306657-01Size:250 mg
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CAS Number
1174322-66-7
MDL Number
MFCD17259279
Purity
=95%
Smiles
OC(=O)c1ccc(cn1)C2CC2
Storage Conditions
Store at 2-8°C

Chemical Information

5-Cyclopropylpyridine-2-carboxylic acid
CAS Number1174322-66-7
PubChem CID57827722
IUPAC Name5-cyclopropylpyridine-2-carboxylic acid
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP1.6
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity189
SMILES
C1CC1C2=CN=C(C=C2)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)8-4-3-7(5-10-8)6-1-2-6/h3-6H,1-2H2,(H,11,12)
InChIKey
MEOSCGYJTDEGDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Cyclopropylpyridine-2-carboxylic acid
CAS: 1174322-66-7
CID: 57827722
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area50.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity189
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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