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Home > Boronic Acids > 1141878-24-1
1141878-24-1 | [3-methyl-1-(oxan-2-yl)-1H-pyrazol-5-yl]boronic acid
CAS No: 1141878-24-1 Catalog No: AG01A4CF MDL No:MFCD23144316
Product Description
Catalog Number:
AG01A4CF
Chemical Name:
[3-methyl-1-(oxan-2-yl)-1H-pyrazol-5-yl]boronic acid
CAS Number:
1141878-24-1
Molecular Formula:
C9H15BN2O3
Molecular Weight:
210.0380
MDL Number:
MFCD23144316
IUPAC Name:
[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]boronic acid
InChI:
InChI=1S/C9H15BN2O3/c1-7-6-8(10(13)14)12(11-7)9-4-2-3-5-15-9/h6,9,13-14H,2-5H2,1H3
InChI Key:
CPFJUNLFQXGHCT-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)B(O)O)C1CCCCO1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.04g/mol
Monoisotopic Mass:
210.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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