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Home > Boronic Acids > 98139-72-1
98139-72-1 | Isopentylboronic acid
CAS No: 98139-72-1 Catalog No: AG003R48 MDL No:MFCD07784365
Product Description
Catalog Number:
AG003R48
Chemical Name:
Isopentylboronic acid
CAS Number:
98139-72-1
Molecular Formula:
C5H13BO2
Molecular Weight:
115.9665
MDL Number:
MFCD07784365
IUPAC Name:
3-methylbutylboronic acid
InChI:
InChI=1S/C5H13BO2/c1-5(2)3-4-6(7)8/h5,7-8H,3-4H2,1-2H3
InChI Key:
UVMWVBMFEDQYRW-UHFFFAOYSA-N
SMILES:
CC(CCB(O)O)C
Properties
Complexity:
54.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.101g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
115.967g/mol
Monoisotopic Mass:
116.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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