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Compound Fr12960

CAT: 0931-Fr12960-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12960-02Size:2 mg
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CAS Number
64354-50-3
Bioactivity
Compound Fr12960, with CAS No. 64354-50-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12960 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
Cc1cc(C(O)=O)c(o1)-c1ccccc1
Molecular Formula
C12H10O3
Molecular Weight
202.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Methyl-2-phenylfuran-3-carboxylic acid

5-Methyl-2-phenyl-3-furoic acid is a furoic acid.

CAS Number64354-50-3
PubChem CID761020
IUPAC Name5-methyl-2-phenylfuran-3-carboxylic acid
Molecular FormulaC12H10O3
Molecular Weight202.21
XLogP2.6
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity233
SMILES
CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H10O3/c1-8-7-10(12(13)14)11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
InChIKey
CASZQQKUMVLKBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-2-phenylfuran-3-carboxylic acid
CAS: 64354-50-3
CID: 761020
Formula: C12H10O3
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass202.062994177
Monoisotopic Mass202.062994177
Topological Polar Surface Area50.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity233
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
Fr12910-01Compound Fr12910
Fr13960-01Compound Fr13960
Fr12690-01Compound Fr12690
Fr12460-01Compound Fr12460
Fr12160-01Compound Fr12160
Fr12961-01Compound Fr12961
Fr12990-01Compound Fr12990
Fr12969-01Compound Fr12969
Fr12760-01Compound Fr12760
Fr12940-01Compound Fr12940

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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