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Home > Boronic Acids > 870777-16-5
870777-16-5 | (3-Methylbut-2-en-2-yl)boronic acid
CAS No: 870777-16-5 Catalog No: AG003JP4 MDL No:MFCD06411311
Product Description
Catalog Number:
AG003JP4
Chemical Name:
(3-Methylbut-2-en-2-yl)boronic acid
CAS Number:
870777-16-5
Molecular Formula:
C5H11BO2
Molecular Weight:
113.9506
MDL Number:
MFCD06411311
IUPAC Name:
3-methylbut-2-en-2-ylboronic acid
InChI:
InChI=1S/C5H11BO2/c1-4(2)5(3)6(7)8/h7-8H,1-3H3
InChI Key:
ONHWZTRGTFWBIX-UHFFFAOYSA-N
SMILES:
OB(C(=C(C)C)C)O
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.085g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
113.951g/mol
Monoisotopic Mass:
114.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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