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Home > Boronic Acids > 1086063-70-8
1086063-70-8 | (1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID
CAS No: 1086063-70-8 Catalog No: AG00HB6K MDL No:MFCD16621237
Product Description
Catalog Number:
AG00HB6K
Chemical Name:
(1-(2-HYDROXYETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID
CAS Number:
1086063-70-8
Molecular Formula:
C5H9BN2O3
Molecular Weight:
155.9476
MDL Number:
MFCD16621237
IUPAC Name:
[1-(2-hydroxyethyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C5H9BN2O3/c9-2-1-8-4-5(3-7-8)6(10)11/h3-4,9-11H,1-2H2
InChI Key:
MBKIXFIUNGSYBW-UHFFFAOYSA-N
SMILES:
OCCn1ncc(c1)B(O)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
155.948g/mol
Monoisotopic Mass:
156.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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