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Chemical structure of Monomethyl phthalate-d4

GC77131

Monomethyl phthalate-d4

Also known as 2,3,4,5-tetradeuterio-6-methoxycarbonylbenzoic acid

Monomethyl phthalate-d4 (2-(Methoxycarbonyl)benzoic acid-d4) is the deuterium labeled Monomethyl phthalate

ChemicalCAS1276197-40-0MW184.18FormulaC9H4D4O4
CAS number
1276197-40-0
Molecular weight
184.18
Formula
C9H4D4O4
Solubility
DMSO: 100 mg/mL (542·95 mM; Need ultrasonic and warming)
InChIKey
FNJSWIPFHMKRAT-QFFDRWTDSA-N
Catalogue number
GC77131
Brand
GLPBIO
Computed properties PubChem CID 71750650 · XLogP 1.1 · TPSA 63.6 Ų · H-bond donors 1
XLogP
1.1
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

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

Computed descriptors from PubChem (CID 71750650), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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