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13722-63-9 | 1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl-
CAS No: 13722-63-9 Catalog No: AG0012YN MDL No:
Product Description
Catalog Number:
AG0012YN
Chemical Name:
1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl-
CAS Number:
13722-63-9
Molecular Formula:
C8H13BO2
Molecular Weight:
151.9986
IUPAC Name:
2-ethynyl-4,4,6-trimethyl-1,3,2-dioxaborinane
InChI:
InChI=1S/C8H13BO2/c1-5-9-10-7(2)6-8(3,4)11-9/h1,7H,6H2,2-4H3
InChI Key:
RRHCCOMWBPRIDB-UHFFFAOYSA-N
SMILES:
C#CB1OC(C)CC(O1)(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.101g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152g/mol
Monoisotopic Mass:
152.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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