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Bancroftinone

CAT: 0013-GTR19156078-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156078-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bancroftinone is a natural product.
CAS Number
14964-98-8
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (475.67 mM)
Smiles
CC (C1=C (O) C=C (OC) C (C) =C1OC) =O
Molecular Formula
C11H14O4
Molecular Weight
210.2
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bancroftinone

Bancroftinone is an aromatic ketone.

CAS Number14964-98-8
PubChem CID11287272
IUPAC Name1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP2.1
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity229
SMILES
CC1=C(C=C(C(=C1OC)C(=O)C)O)OC
InChI
InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3
InChIKey
DUTVTRPNMVUOIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bancroftinone
CAS: 14964-98-8
CID: 11287272
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity229
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

Alternative Products

CatalogName
MBS3613313-01Bancroftinone

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