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Home > Boronic Acids > 1163248-54-1
1163248-54-1 | Boronic acid, B-(5-methyl-1H-pyrazol-3-yl)-
CAS No: 1163248-54-1 Catalog No: AG000C79 MDL No:MFCD14636621
Product Description
Catalog Number:
AG000C79
Chemical Name:
Boronic acid, B-(5-methyl-1H-pyrazol-3-yl)-
CAS Number:
1163248-54-1
Molecular Formula:
C4H7BN2O2
Molecular Weight:
125.9216
MDL Number:
MFCD14636621
IUPAC Name:
(3-methyl-1H-pyrazol-5-yl)boronic acid
InChI:
InChI=1S/C4H7BN2O2/c1-3-2-4(5(8)9)7-6-3/h2,8-9H,1H3,(H,6,7)
InChI Key:
VWENLWUOIPCRRJ-UHFFFAOYSA-N
SMILES:
OB(c1cc([nH]n1)C)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.06g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
125.922g/mol
Monoisotopic Mass:
126.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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