Compound Fr14341

CAT: 0931-Fr14341-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-Fr14341-02Size:100 mg

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CAS Number

98-78-2

Purity

0.9809

Bioactivity

Compound Fr14341, with CAS No. 98-78-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14341 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)C1CCC(=O)C1

Molecular Formula

C6H8O3

Molecular Weight

128.13

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-Oxocyclopentanecarboxylic acid

3-oxocyclopentanecarboxylic acid is an alicyclic ketone that is oxocyclopentanone substituted at position 3 by a carboxy group. It is a 4-oxo monocarboxylic acid and an alicyclic ketone. It is a conjugate acid of a 3-oxocyclopentanecarboxylate.

CAS Number	98-78-2
PubChem CID	227798
IUPAC Name	3-oxocyclopentane-1-carboxylic acid
Molecular Formula	C6H8O3
Molecular Weight	128.13
XLogP	-0.4
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	150

SMILES

C1CC(=O)CC1C(=O)O

InChI

InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)

InChIKey

RDSNBKRWKBMPOP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98-78-2

CID: 227798

Formula: C6H8O3

MW: 128.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	128.13
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	128.047344113
Monoisotopic Mass	128.047344113
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	150
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
Fr14345-01	Compound Fr14345
Fr14241-01	Compound Fr14241
Fr14361-01	Compound Fr14361
Fr13341-01	Compound Fr13341
Fr14541-01	Compound Fr14541
Fr14351-01	Compound Fr14351
Fr14343-01	Compound Fr14343
Fr14340-01	Compound Fr14340
Fr14141-01	Compound Fr14141
Fr14441-01	Compound Fr14441

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
HY-U00358	Compound 2
255023-01	Compound 401
HY-14176-01	Compound E
2573-5	Compound 112254
1898-1000	Compound 34
MBS3613725-01	Compound 3344
MBS3613444-01	Compound W
ALX-270-455-M005	Compound 15e

Compound Fr14341

Chemical Information

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