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Chemical structure of 3-Methyl Hippuric acid-d7

GC70648

3-Methyl Hippuric acid-d7

Also known as 2-[[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)benzoyl]amino]acetic acid

3-Methyl Hippuric acid-d7 is the deuterium labeled 3-Methyl Hippuric acid

ChemicalCAS1216551-07-3MW200.24FormulaC10H4D7NO3
CAS number
1216551-07-3
Molecular weight
200.24
Formula
C10H4D7NO3
InChIKey
YKAKNMHEIJUKEX-AAYPNNLASA-N
Catalogue number
GC70648
Brand
GLPBIO
Computed properties PubChem CID 46782263 · XLogP 1.6 · TPSA 66.4 Ų · H-bond donors 2
XLogP
1.6
TPSA
66.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)NCC(=O)O)[2H])C([2H])([2H])[2H])[2H]

Computed descriptors from PubChem (CID 46782263), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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