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Compound Fr14178

CAT: 0013-GTR19270043-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270043-01Size:10 mg
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Description
Compound Fr14178, with CAS No. 2476-29-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14178 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
2476-29-1
Smiles
CC (=O) C1=C (O) C=C (N) C=C1
Molecular Formula
C8H9NO2
Molecular Weight
151.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Amino-2'-hydroxyacetophenone

1-(4-Amino-2-hydroxyphenyl)ethan-1-one is an aromatic ketone.

CAS Number2476-29-1
PubChem CID459296
IUPAC Name1-(4-amino-2-hydroxyphenyl)ethanone
Molecular FormulaC8H9NO2
Molecular Weight151.16
XLogP1.3
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
CC(=O)C1=C(C=C(C=C1)N)O
InChI
InChI=1S/C8H9NO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,9H2,1H3
InChIKey
QQZFVONVJPXCSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Amino-2'-hydroxyacetophenone
CAS: 2476-29-1
CID: 459296
Formula: C8H9NO2
MW: 151.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.16
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass151.063328530
Monoisotopic Mass151.063328530
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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ALX-550-516-M025Compound A
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PDK0296-01Compound PDK0296
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