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Home > Boronic Acids > 29173-19-1
29173-19-1 | 3-Butyne-1,1-diboronic acid, cyclic B,B:B',B'-diethylene ester (8CI)
CAS No: 29173-19-1 Catalog No: AG002XKX MDL No:
Product Description
Catalog Number:
AG002XKX
Chemical Name:
3-Butyne-1,1-diboronic acid, cyclic B,B:B',B'-diethylene ester (8CI)
CAS Number:
29173-19-1
Molecular Formula:
C8H12B2O4
Molecular Weight:
193.8005
IUPAC Name:
2-[1-(1,3,2-dioxaborolan-2-yl)but-3-ynyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C8H12B2O4/c1-2-3-8(9-11-4-5-12-9)10-13-6-7-14-10/h1,8H,3-7H2
InChI Key:
PBRXOUHLLRCPJK-UHFFFAOYSA-N
SMILES:
C#CCC(B1OCCO1)B1OCCO1
NSC Number:
150887
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.8g/mol
Monoisotopic Mass:
194.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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