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Chemical structure of Monobutyl phthalate-d4

GC76377

Monobutyl phthalate-d4

Also known as 2-butoxycarbonyl-3,4,5,6-tetradeuteriobenzoic acid

Monobutyl phthalate-d4 is the deuterium labeled Monobutyl phthalate

ChemicalCAS478954-81-3MW226.26FormulaC12H10D4O4
CAS number
478954-81-3
Molecular weight
226.26
Formula
C12H10D4O4
InChIKey
YZBOVSFWWNVKRJ-UGWFXTGHSA-N
Catalogue number
GC76377
Brand
GLPBIO
Computed properties PubChem CID 71750779 · XLogP 3.1 · TPSA 63.6 Ų · H-bond donors 1
XLogP
3.1
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16

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

Computed descriptors from PubChem (CID 71750779), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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