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1174860-71-9 | [3-(1-methyl-1H-pyrazol-4-yl)isoxazol-5-yl]methanol
CAS No: 1174860-71-9 Catalog No: AG00JFXD MDL No:MFCD11215392
Product Description
Catalog Number:
AG00JFXD
Chemical Name:
[3-(1-methyl-1H-pyrazol-4-yl)isoxazol-5-yl]methanol
CAS Number:
1174860-71-9
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD11215392
IUPAC Name:
[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C8H9N3O2/c1-11-4-6(3-9-11)8-2-7(5-12)13-10-8/h2-4,12H,5H2,1H3
InChI Key:
LFKXWBPGRBEOBO-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)c1cnn(c1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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