Home Carboxys rac-(2R,3R)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolane-3-carboxylic acid, trans

rac-(2R,3R)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolane-3-carboxylic acid, trans

CAS No.:
1807940-29-9
Catalog Number:
AG01CAFB
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
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Product Description
Catalog Number:
AG01CAFB
Chemical Name:
rac-(2R,3R)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolane-3-carboxylic acid, trans
CAS Number:
1807940-29-9
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD31558616
IUPAC Name:
(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
InChI:
InChI=1S/C11H16N2O3/c1-7(2)13-6-8(5-12-13)10-9(11(14)15)3-4-16-10/h5-7,9-10H,3-4H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
InChI Key:
NKSPBXAUFCSZFI-NXEZZACHSA-N
SMILES:
OC(=O)[C@@H]1CCO[C@H]1c1cnn(c1)C(C)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties