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Chemical structure of Caffeic Acid-13C3

GC43114

Caffeic Acid-13C3

Also known as (E)-3-(3,4-dihydroxyphenyl)(1,2,3-13C3)prop-2-enoic acid

Caffeic acid-13C3 is an isotopically enriched form of caffeic acid that is intended for use as an internal standard for the quantification of caffeic acid by GC- or LC-MS

ChemicalCAS1185245-82-2MW183.1FormulaC6[13C]3H8O4
CAS number
1185245-82-2
Molecular weight
183.1
Formula
C6[13C]3H8O4
Solubility
DMSO： Slightly,Methanol： Very Slightly
InChIKey
QAIPRVGONGVQAS-JDWYZSDHSA-N
Catalogue number
GC43114
Brand
GLPBIO
Computed properties PubChem CID 46780148 · XLogP 1.2 · TPSA 77.8 Ų · H-bond donors 3
XLogP
1.2
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

SMILES C1=CC(=C(C=C1/[13CH]=[13CH]/[13C](=O)O)O)O

Computed descriptors from PubChem (CID 46780148), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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