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Home > Boronic Acids > 86595-37-1
86595-37-1 | (E)-(3,3-Dimethylbut-1-en-1-yl)boronic acid
CAS No: 86595-37-1 Catalog No: AG004U15 MDL No:MFCD01074624
Product Description
Catalog Number:
AG004U15
Chemical Name:
(E)-(3,3-Dimethylbut-1-en-1-yl)boronic acid
CAS Number:
86595-37-1
Molecular Formula:
C6H13BO2
Molecular Weight:
127.9772
MDL Number:
MFCD01074624
IUPAC Name:
[(E)-3,3-dimethylbut-1-enyl]boronic acid
InChI:
InChI=1S/C6H13BO2/c1-6(2,3)4-5-7(8)9/h4-5,8-9H,1-3H3/b5-4+
InChI Key:
CTIWKIMYFQSVBZ-SNAWJCMRSA-N
SMILES:
OB(/C=C/C(C)(C)C)O
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
128.101g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.978g/mol
Monoisotopic Mass:
128.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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