Products 1173097-51-2

CAS 1173097-51-2 is the registry number for Caffeic Acid-13C9. Offered by: TRC. Available pack sizes: 25mg.

Caffeic Acid-13C9
TRC
  • size: 25mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

Caffeic Acid-13C9 is a (13)C-modified compound and a hydroxycinnamic acid.

Source: ChEBI

Identity
Molecular formulaC9H8O4
Molecular weight189.09 g/mol
IUPAC name(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
InChIKeyQAIPRVGONGVQAS-RJKLISAOSA-N
SMILES[13CH]1=[13CH][13C](=[13C]([13CH]=[13C]1/[13CH]=[13CH]/[13C](=O)O)O)O

Computed by PubChem (NCBI)

Synonyms: (2E)-3-(3,4-Dihydroxy(~13~C_6_)phenyl)(~13~C_3_)prop-2-enoic acid, (2E)-3-[3,4-Dihydroxy(~13~C_6_)phenyl](~13~C_3_)prop-2-enoic acid, Caffeic acid-13C9, Caffeic acid-13C9, 99 atom % 13C, 97% (CP)
Related forms of this compound
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid C9H8O4
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid C9H8O4
(E)-3-(3,4-dihydroxyphenyl)(1,2,3-13C3)prop-2-enoic acid C9H8O4
Isomers (same molecular formula)
3-(3-hydroxyphenyl)-2-oxopropanoic acid C9H8O4
2,3-dihydro-1,4-benzodioxine-5-carboxylic acid C9H8O4
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid C9H8O4
4-(carboxymethyl)benzoic acid C9H8O4
6-methoxy-1,3-benzodioxole-5-carbaldehyde C9H8O4
3-formyl-5-methoxybenzoic acid C9H8O4
2-phenylpropanedioic acid C9H8O4
4-acetyl-3-hydroxybenzoic acid C9H8O4
2-(3-formylphenoxy)acetic acid C9H8O4