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

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

CAS No.:
1807895-92-6
Catalog Number:
AG01CAFC
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
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Product Description
Catalog Number:
AG01CAFC
Chemical Name:
rac-(2R,3R)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolane-3-carboxylic acid, trans
CAS Number:
1807895-92-6
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
MDL Number:
MFCD31558624
IUPAC Name:
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxylic acid
InChI:
InChI=1S/C11H16N2O4/c1-16-5-3-13-7-8(6-12-13)10-9(11(14)15)2-4-17-10/h6-7,9-10H,2-5H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChI Key:
KVJAVNHHFPQJPU-UWVGGRQHSA-N
SMILES:
COCCn1ncc(c1)[C@@H]1OCC[C@H]1C(=O)O
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties