200,000+ products from a single source!
sales@angenechem.com
89149-98-4 | 5-Oxazolepropanenitrile, 2-methyl-4-phenyl-
CAS No: 89149-98-4 Catalog No: AG003XHL MDL No:
Product Description
Catalog Number:
AG003XHL
Chemical Name:
5-Oxazolepropanenitrile, 2-methyl-4-phenyl-
CAS Number:
89149-98-4
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
3-(2-methyl-4-phenyl-1,3-oxazol-5-yl)propanenitrile
InChI:
InChI=1S/C13H12N2O/c1-10-15-13(11-6-3-2-4-7-11)12(16-10)8-5-9-14/h2-4,6-7H,5,8H2,1H3
InChI Key:
XCWDBIUGBNRURK-UHFFFAOYSA-N
SMILES:
N#CCCc1oc(nc1c1ccccc1)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.