Products for Research Use Only
RegisterLogin

Compound Fr13683

CAT: 0013-GTR19269953-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19269953-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Compound Fr13683, with CAS No. 15058-72-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13683 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
15058-72-7
Smiles
Cc1coc (C) c1C (O) =O
Molecular Formula
C7H8O3
Molecular Weight
140.1366
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-Dimethyl-3-furoic acid
CAS Number15058-72-7
PubChem CID638456
IUPAC Name2,4-dimethylfuran-3-carboxylic acid
Molecular FormulaC7H8O3
Molecular Weight140.14
XLogP1.3
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity144
SMILES
CC1=COC(=C1C(=O)O)C
InChI
InChI=1S/C7H8O3/c1-4-3-10-5(2)6(4)7(8)9/h3H,1-2H3,(H,8,9)
InChIKey
JFXXYKVSLHRBAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethyl-3-furoic acid
CAS: 15058-72-7
CID: 638456
Formula: C7H8O3
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass140.047344113
Monoisotopic Mass140.047344113
Topological Polar Surface Area50.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity144
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
GTR19269976-01Compound Fr13783
GTR19269947-01Compound Fr13663
GTR19269955-01Compound Fr13688
GTR19269951-01Compound Fr13673
GTR19269956-01Compound Fr13693
GTR19269975-01Compound Fr13780
GTR19269958-01Compound Fr13696
GTR19269940-01Compound Fr13618
GTR19269925-01Compound Fr13453
GTR19269901-01Compound Fr13281

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

Popular Products