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Compound FL0108

CAT: 0931-FL0108-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-FL0108-02Size:1 g
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CAS Number
20348-21-4
Bioactivity
Compound FL0108, with CAS No. 20348-21-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0108 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.
Smiles
CC1(C)OC2=C(NC1=O)N=CC=C2
Molecular Formula
C9H10N2O2
Molecular Weight
178.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2-Dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
CAS Number20348-21-4
PubChem CID88501
IUPAC Name2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
Molecular FormulaC9H10N2O2
Molecular Weight178.19
XLogP0.7
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity228
SMILES
CC1(C(=O)NC2=C(O1)C=CC=N2)C
InChI
InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)
InChIKey
DMLNXUUGRSBBBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
CAS: 20348-21-4
CID: 88501
Formula: C9H10N2O2
MW: 178.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.19
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass178.074227566
Monoisotopic Mass178.074227566
Topological Polar Surface Area51.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity228
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

CatalogName
FL0158-01Compound FL0158
FL0101-01Compound FL0101
FL0107-01Compound FL0107
FL0105-01Compound FL0105
FL0100-01Compound FL0100
FL0208-01Compound FL0208
FL0148-01Compound FL0148
FL0106-01Compound FL0106
FL0218-01Compound FL0218
FL0185-01Compound FL0185

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