Home Carboxys 2-(1-phenyl-1H-imidazol-2-yl)oxolane-3-carboxylic acid, trans

2-(1-phenyl-1H-imidazol-2-yl)oxolane-3-carboxylic acid, trans

CAS No.:
1864003-60-0
Catalog Number:
AG01BAN5
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
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Product Description
Catalog Number:
AG01BAN5
Chemical Name:
2-(1-phenyl-1H-imidazol-2-yl)oxolane-3-carboxylic acid, trans
CAS Number:
1864003-60-0
Molecular Formula:
C14H14N2O3
Molecular Weight:
258.2726
MDL Number:
MFCD29033762
IUPAC Name:
(2R,3R)-2-(1-phenylimidazol-2-yl)oxolane-3-carboxylic acid
InChI:
InChI=1S/C14H14N2O3/c17-14(18)11-6-9-19-12(11)13-15-7-8-16(13)10-4-2-1-3-5-10/h1-5,7-8,11-12H,6,9H2,(H,17,18)/t11-,12-/m1/s1
InChI Key:
TTZOSKADNJZIGW-VXGBXAGGSA-N
SMILES:
OC(=O)[C@@H]1CCO[C@H]1c1nccn1c1ccccc1
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
258.1g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.277g/mol
Monoisotopic Mass:
258.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties