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701261-35-0 | Neopentylboronic acid
CAS No: 701261-35-0 Catalog No: AG003SYX MDL No:MFCD09750464
Product Description
Catalog Number:
AG003SYX
Chemical Name:
Neopentylboronic acid
CAS Number:
701261-35-0
Molecular Formula:
C5H13BO2
Molecular Weight:
115.9665
MDL Number:
MFCD09750464
IUPAC Name:
2,2-dimethylpropylboronic acid
InChI:
InChI=1S/C5H13BO2/c1-5(2,3)4-6(7)8/h7-8H,4H2,1-3H3
InChI Key:
VCPOZKMTAGEGOT-UHFFFAOYSA-N
SMILES:
OB(CC(C)(C)C)O
Properties
Complexity:
65.3
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:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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