Products for Research Use Only
RegisterLogin

Compound Fr14026

CAT: 0931-Fr14026-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr14026-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6947-94-0
Purity
>99.99%
Bioactivity
Compound Fr14026, with CAS No. 6947-94-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14026 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
Cc1occc1C(O)=O
Molecular Formula
C6H6O3
Molecular Weight
126.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methyl-3-furoic acid
CAS Number6947-94-0
PubChem CID244756
IUPAC Name2-methylfuran-3-carboxylic acid
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP0.9
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity121
SMILES
CC1=C(C=CO1)C(=O)O
InChI
InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
InChIKey
CFGQZVOVFIZRMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-furoic acid
CAS: 6947-94-0
CID: 244756
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area50.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity121
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
Fr13026-01Compound Fr13026
Fr14025-01Compound Fr14025
Fr14046-01Compound Fr14046
Fr14022-01Compound Fr14022
Fr14016-01Compound Fr14016
Fr14006-01Compound Fr14006
Fr14028-01Compound Fr14028
Fr14526-01Compound Fr14526
Fr14027-01Compound Fr14027
Fr14023-01Compound Fr14023

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

Popular Products