E-Hexen-1-ylboronic acid


Chemical Name: E-Hexen-1-ylboronic acid
CAS Number: 42599-18-8
Product Number: AG00C0XW(AGN-PC-0WACYN)
Synonyms:
MDL No: MFCD01074553
Molecular Formula: C6H13BO2
Molecular Weight: 127.97722

Identification/Properties


Computed Properties
Molecular Weight:
127.978g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
128.101g/mol
Monoisotopic Mass:
128.101g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
81.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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