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Home > Boronic Acids > 1190875-27-4
1190875-27-4 | 3-Methyl-isoxazole-5-boronic acid
CAS No: 1190875-27-4 Catalog No: AG0092HJ MDL No:MFCD18909441
Product Description
Catalog Number:
AG0092HJ
Chemical Name:
3-Methyl-isoxazole-5-boronic acid
CAS Number:
1190875-27-4
Molecular Formula:
C4H6BNO3
Molecular Weight:
126.9063
MDL Number:
MFCD18909441
IUPAC Name:
(3-methyl-1,2-oxazol-5-yl)boronic acid
InChI:
InChI=1S/C4H6BNO3/c1-3-2-4(5(7)8)9-6-3/h2,7-8H,1H3
InChI Key:
INXAMNVIJLQLOV-UHFFFAOYSA-N
SMILES:
OB(c1onc(c1)C)O
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.044g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.906g/mol
Monoisotopic Mass:
127.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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