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Home > Boronic Acids > 1310384-76-9
1310384-76-9 | 2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS No: 1310384-76-9 Catalog No: AG01DJ46 MDL No:MFCD11215242
Product Description
Catalog Number:
AG01DJ46
Chemical Name:
2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CAS Number:
1310384-76-9
Molecular Formula:
C7H8BNO4
Molecular Weight:
180.9537
MDL Number:
MFCD11215242
IUPAC Name:
2-ethynyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
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
SMILES:
CN1CC(=O)OB(OC(=O)C1)C#C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.954g/mol
Monoisotopic Mass:
181.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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