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Arteriole

CAT: 0013-GTR19260052-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260052-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kmeriol is a natural product.
CAS Number
54306-10-4
Purity
>98% (HPLC)
Molecular Formula
C12H18O5
Molecular Weight
242.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Kmeriol

from Kmeria duperreana; structure given in first source

CAS Number54306-10-4
PubChem CID129913
IUPAC Name3-(3,4,5-trimethoxyphenyl)propane-1,2-diol
Molecular FormulaC12H18O5
Molecular Weight242.27
XLogP0.4
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity197
SMILES
COC1=CC(=CC(=C1OC)OC)CC(CO)O
InChI
InChI=1S/C12H18O5/c1-15-10-5-8(4-9(14)7-13)6-11(16-2)12(10)17-3/h5-6,9,13-14H,4,7H2,1-3H3
InChIKey
SNDFRVPKIVPGED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kmeriol
CAS: 54306-10-4
CID: 129913
Formula: C12H18O5
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass242.11542367
Monoisotopic Mass242.11542367
Topological Polar Surface Area68.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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