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Compound Fr16622

CAT: 0931-Fr16622-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16622-02Size:25 mg
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CAS Number
39270-39-8
Bioactivity
Compound Fr16622, with CAS No. 39270-39-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16622 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
OCc1ccc2c(c1)OCCO2
Molecular Formula
C9H10O3
Molecular Weight
166.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,3-Dihydro-1,4-benzodioxin-6-methanol
CAS Number39270-39-8
PubChem CID2776174
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-ylmethanol
Molecular FormulaC9H10O3
Molecular Weight166.17
XLogP1
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity149
SMILES
C1COC2=C(O1)C=CC(=C2)CO
InChI
InChI=1S/C9H10O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5,10H,3-4,6H2
InChIKey
FFLHNBGNAWYMRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydro-1,4-benzodioxin-6-methanol
CAS: 39270-39-8
CID: 2776174
Formula: C9H10O3
MW: 166.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.17
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass166.062994177
Monoisotopic Mass166.062994177
Topological Polar Surface Area38.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
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
Fr16632-01Compound Fr16632
Fr16682-01Compound Fr16682
Fr16602-01Compound Fr16602
Fr16625-01Compound Fr16625
Fr13622-01Compound Fr13622
Fr16662-01Compound Fr16662
Fr16628-01Compound Fr16628
Fr16620-01Compound Fr16620
Fr16626-01Compound Fr16626
Fr16722-01Compound Fr16722

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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