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Compound Fr12389

CAT: 0013-GTR19269799-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269799-01Size:1 mg
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Description
Compound Fr12389, with CAS No. 41536-44-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12389 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
41536-44-1
Smiles
OC1=C (C=CC=C1) N1CCOCC1
Molecular Formula
C10H13NO2
Molecular Weight
179.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Morpholinophenol
CAS Number41536-44-1
PubChem CID2795394
IUPAC Name2-morpholin-4-ylphenol
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP1.3
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity157
SMILES
C1COCCN1C2=CC=CC=C2O
InChI
InChI=1S/C10H13NO2/c12-10-4-2-1-3-9(10)11-5-7-13-8-6-11/h1-4,12H,5-8H2
InChIKey
VMPYFWTYGZZUMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Morpholinophenol
CAS: 41536-44-1
CID: 2795394
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area32.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity157
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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GTR19269853-01Compound Fr12887
GTR19269851-01Compound Fr12881
GTR19269806-01Compound Fr12469
GTR19269796-01Compound Fr12378
GTR19269784-01Compound Fr12288

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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