914943-91-2
tert-butyl 3-ethynylbenzoate
Name
tert-butyl 3-ethynylbenzoate
pro_formula
C13H14O2
pro_molWeight
202.2491
1Identification
【Name】
tert-butyl 3-ethynylbenzoate
【CAS】
【MDL】
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13H14O2
【pro_molWeight】
202.2491
【Inchi】
InChI=1S/C13H14O2/c1-5-10-7-6-8-11(9-10)12(14)15-13(2,3)4/h1,6-9H,2-4H3
【InChIKey】
InChIKey=SSDAUMHJIKPITN-UHFFFAOYSA-N
【SMILES】
C(#C)C=1C=C(C(=O)OC(C)(C)C)C=CC1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:0
XLogP3:0.0
Bulk/Fine:
3MaterialMSDS
4CMLFile
tert-butyl 3-ethynylbenzoate.cml
quick_release
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