Ethynylboronic acid MIDA ester

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Catalog Number
ACM1104637537
Product Name
Ethynylboronic acid MIDA ester
CAS
1104637-53-7
Category
Heterocyclic Organic Compound
IUPAC Name
2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Molecular Weight
180.96g/mol
Molecular Formula
C7H8BNO4
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C#C
InChI
InChI=1S/C7H8BNO4/c1-3-8-12-6(10)4-9(2)5-7(11)13-8/h1H,4-5H2,2H3
InChI Key
NHVZIRZCTRJEFP-UHFFFAOYSA-N
Complexity
262
Covalently-Bonded Unit Count
1
Exact Mass
181.054638g/mol
Formal Charge
0
H-Bond Acceptor
5
H-Bond Donor
0
Heavy Atom Count
13
Monoisotopic Mass
181.054638g/mol
Rotatable Bond Count
1
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