Products for Research Use Only
RegisterLogin

AB 5046A

CAT: 0013-GTR19195985-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19195985-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AB 5046A is a small molecule metabolite derived from the fungus Nodulisporium sp. that induces chlorosis. This compound serves as a research tool for investigating phytotoxicity, fungal secondary metabolism, and plant-pathogen interactions in both in vitro and in planta studies.
CAS Number
154037-62-4
Smiles
O=C (C=1C (=O) CC (O) CC1O) CCC
Molecular Formula
C10H14O4
Molecular Weight
198.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ab-5046-A

Ab-5046-A is an enol and an enone.

CAS Number154037-62-4
PubChem CID3037158
IUPAC Name5-hydroxy-2-(1-hydroxybutylidene)cyclohexane-1,3-dione
Molecular FormulaC10H14O4
Molecular Weight198.22
XLogP0.6
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity270
SMILES
CCCC(=C1C(=O)CC(CC1=O)O)O
InChI
InChI=1S/C10H14O4/c1-2-3-7(12)10-8(13)4-6(11)5-9(10)14/h6,11-12H,2-5H2,1H3
InChIKey
RXVLEEDFHBRMGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ab-5046-A
CAS: 154037-62-4
CID: 3037158
Formula: C10H14O4
MW: 198.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.22
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass198.08920892
Monoisotopic Mass198.08920892
Topological Polar Surface Area74.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity270
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
GTR19195984AB 5046B
GTR19156301-01AB-680
GTR19249144-01AB-343
GTR19212053-01AB-506
GTR19264174-01AB-ICA
GTR19259057-01AB-3PRGD2
GTR19204114-01AB-MECA
GTR19241021-01AB-161
GTR19231910-01AB 17655
GTR19333850-01Ginkgolide AB

Alternative Products

CatalogName
MBS5779149AB 5046A

Popular Products