Home Aldehydes rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-5-yl)oxane-3-carbaldehyde, trans

rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-5-yl)oxane-3-carbaldehyde, trans

CAS No.:
1969288-49-0
Catalog Number:
AG01B5PW
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
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Product Description
Catalog Number:
AG01B5PW
Chemical Name:
rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-5-yl)oxane-3-carbaldehyde, trans
CAS Number:
1969288-49-0
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD30181786
IUPAC Name:
(2S,3R)-2-(2-ethylpyrazol-3-yl)oxane-3-carbaldehyde
InChI:
InChI=1S/C11H16N2O2/c1-2-13-10(5-6-12-13)11-9(8-14)4-3-7-15-11/h5-6,8-9,11H,2-4,7H2,1H3/t9-,11-/m0/s1
InChI Key:
AOEVZGBNFRUFMW-ONGXEEELSA-N
SMILES:
O=C[C@@H]1CCCO[C@H]1c1ccnn1CC
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties