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Reference substances

Reference substances

IUPAC name:
2-[(but-3-yn-2-yloxy)carbonyl]benzoic acid

Inventory

CAS number:
42969-62-0
Synonyms
Names:
1,2-Benzenedicarboxylic acid, mono(1-methyl-2-propynyl) ester

Molecular and structural information

Molecular formula:
C12H10O4
Molecular weight:
218.21
SMILES notation:
O=C(OC(C)C#C)c1ccccc1C(O)=O
InChl:
InChI=1/C12H10O4/c1-3-8(2)16-12(15)10-7-5-4-6-9(10)11(13)14/h1,4-8H,2H3,(H,13,14)
Structural formula:
Chemical structure

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