Home Nitriles 3-[(4-methoxyphenyl)amino]oxolane-3-carbonitrile

3-[(4-methoxyphenyl)amino]oxolane-3-carbonitrile

CAS No.:
1344313-62-7
Catalog Number:
AG01AFX0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
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Product Description
Catalog Number:
AG01AFX0
Chemical Name:
3-[(4-methoxyphenyl)amino]oxolane-3-carbonitrile
CAS Number:
1344313-62-7
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD18333639
IUPAC Name:
3-(4-methoxyanilino)oxolane-3-carbonitrile
InChI:
InChI=1S/C12H14N2O2/c1-15-11-4-2-10(3-5-11)14-12(8-13)6-7-16-9-12/h2-5,14H,6-7,9H2,1H3
InChI Key:
PUVIBCXFHNYCMW-UHFFFAOYSA-N
SMILES:
N#CC1(COCC1)Nc1ccc(cc1)OC
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties