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2092831-77-9 | [1-ethyl-3-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]methanol
CAS No: 2092831-77-9 Catalog No: AG01BSQN MDL No:MFCD30538876
Product Description
Catalog Number:
AG01BSQN
Chemical Name:
[1-ethyl-3-(1,3-oxazol-2-yl)-1H-pyrazol-5-yl]methanol
CAS Number:
2092831-77-9
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD30538876
IUPAC Name:
[2-ethyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]methanol
InChI:
InChI=1S/C9H11N3O2/c1-2-12-7(6-13)5-8(11-12)9-10-3-4-14-9/h3-5,13H,2,6H2,1H3
InChI Key:
IPPONFKDNSTKQP-UHFFFAOYSA-N
SMILES:
OCc1cc(nn1CC)c1ncco1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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