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Baldrinal

CAT: 0013-GTR19237188-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237188-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Baldrinal, valtrate, and acevaltrate are the quality control compounds of Valeriana jatamansi Jones.
CAS Number
18234-46-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 16.67 mg/mL (76.39 mM)
Molecular Formula
C12H10O4
Molecular Weight
218.2
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Baldrinal

Baldrinal is an arenecarbaldehyde.

CAS Number18234-46-3
PubChem CID159846
IUPAC Name(7-formylcyclopenta[c]pyran-4-yl)methyl acetate
Molecular FormulaC12H10O4
Molecular Weight218.20
XLogP1.1
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity276
SMILES
CC(=O)OCC1=COC=C2C1=CC=C2C=O
InChI
InChI=1S/C12H10O4/c1-8(14)16-6-10-5-15-7-12-9(4-13)2-3-11(10)12/h2-5,7H,6H2,1H3
InChIKey
QIUOVIRIFZOCLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Baldrinal
CAS: 18234-46-3
CID: 159846
Formula: C12H10O4
MW: 218.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.20
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass218.05790880
Monoisotopic Mass218.05790880
Topological Polar Surface Area56.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity276
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
TBZ2770Baldrinal

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