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Compound Fr16625

CAT: 0931-Fr16625-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16625-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26537-68-8
Purity
>99.99%
Bioactivity
Compound Fr16625, with CAS No. 26537-68-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16625 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
OC(=O)C1=COC2=CC=CC=C12
Molecular Formula
C9H6O3
Molecular Weight
162.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Benzofuran-3-carboxylic acid
CAS Number26537-68-8
PubChem CID595655
IUPAC Name1-benzofuran-3-carboxylic acid
Molecular FormulaC9H6O3
Molecular Weight162.14
XLogP1.9
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity190
SMILES
C1=CC=C2C(=C1)C(=CO2)C(=O)O
InChI
InChI=1S/C9H6O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChIKey
BENJFDPHDCGUAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzofuran-3-carboxylic acid
CAS: 26537-68-8
CID: 595655
Formula: C9H6O3
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass162.031694049
Monoisotopic Mass162.031694049
Topological Polar Surface Area50.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity190
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
Fr16622-01Compound Fr16622
Fr13625-01Compound Fr13625
Fr16628-01Compound Fr16628
Fr16620-01Compound Fr16620
Fr16626-01Compound Fr16626
Fr16615-01Compound Fr16615
Fr16725-01Compound Fr16725
Fr16665-01Compound Fr16665
Fr16652-01Compound Fr16652
Fr12625-01Compound Fr12625

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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