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Compound FL0178

CAT: 0013-GTR19269737-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269737-02Size:5 mg
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Description
Compound FL0178, with CAS No. 1394935-52-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0178 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
1394935-52-4
Purity
98.61% (May vary between batches)
Smiles
CC (C) (C) OC (=O) Nc1ccc (=O) [nH]c1
Molecular Formula
C10H14N2O3
Molecular Weight
210.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-butyl N-(6-oxo-1,6-dihydropyridin-3-yl)carbamate
CAS Number1394935-52-4
PubChem CID86811224
IUPAC Nametert-butyl N-(6-oxo-1H-pyridin-3-yl)carbamate
Molecular FormulaC10H14N2O3
Molecular Weight210.23
XLogP0.5
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity337
SMILES
CC(C)(C)OC(=O)NC1=CNC(=O)C=C1
InChI
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-8(13)11-6-7/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKey
YISSDDUTPCTXBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-(6-oxo-1,6-dihydropyridin-3-yl)carbamate
CAS: 1394935-52-4
CID: 86811224
Formula: C10H14N2O3
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass210.10044231
Monoisotopic Mass210.10044231
Topological Polar Surface Area67.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity337
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

Related Products

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