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Methyl 4-hydroxybenzoate-2,3,5,6-d4

CAS
362049-51-2
Catalog Number
ACM362049512
Category
Other Products
Molecular Weight
156.17
Molecular Formula
C8H4D4O3

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Specification

Synonyms
Methyl paraben-D4
IUPAC Name
methyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
Canonical SMILES
COC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3/i2D,3D,4D,5D
InChI Key
LXCFILQKKLGQFO-QFFDRWTDSA-N
Appearance
White solid
Chemical Formula
HOC6D4COOCH3
Exact Mass
156.07200
H-Bond Acceptor
3
H-Bond Donor
1
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1C(=O)OC)[2H])[2H])O)[2H]
Stability
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions
Store at room temperature
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