Products for Research Use Only

Compound FL0190

CAT: 0013-GTR19269742-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269742-02Size:5 mg
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Description
Compound FL0190, with CAS No. 1427022-89-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0190 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1427022-89-6
Purity
99.95% (May vary between batches)
Smiles
OC (=O) C1 (CC1) c1ncccn1
Molecular Formula
C8H8N2O2
Molecular Weight
164.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(Pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CAS Number1427022-89-6
PubChem CID91663958
IUPAC Name1-pyrimidin-2-ylcyclopropane-1-carboxylic acid
Molecular FormulaC8H8N2O2
Molecular Weight164.16
XLogP0
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity195
SMILES
C1CC1(C2=NC=CC=N2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-7(12)8(2-3-8)6-9-4-1-5-10-6/h1,4-5H,2-3H2,(H,11,12)
InChIKey
OMNPYYRVZCQDLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Pyrimidin-2-yl)cyclopropane-1-carboxylic acid
CAS: 1427022-89-6
CID: 91663958
Formula: C8H8N2O2
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass164.058577502
Monoisotopic Mass164.058577502
Topological Polar Surface Area63.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity195
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