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Structure

4-(4-Hydroxy-1-butynl)-α,α-di-(methyl-d3)-benzeneacetic acid methyl ester

CAS
1020719-49-6
Catalog Number
ACM1020719496
Category
Other Products
Molecular Weight
252.34
Molecular Formula
C15H12D6O3

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Specification

Synonyms
1020719-49-6, CTK8F5389, 4-(4-Hydroxy-1-butynl)-|A,|A-di-(methyl-D3)-benzeneacetic Acid Methyl Ester, 4-(4-Hydroxy-1-butynl)-alpha,alpha-di-(methyl-D3)-benzeneacetic Acid, Methyl Ester
IUPAC Name
methyl 3,3,3-trideuterio-2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(trideuteriomethyl)propanoate
Canonical SMILES
CC(C)(C1=CC=C(C=C1)C#CCCO)C(=O)OC
InChI Key
QZGRXTVHAIGNKD-WFGJKAKNSA-N
Appearance
Yellow-Greenish Oil
Exact Mass
252.16300
H-Bond Acceptor
3
H-Bond Donor
1
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