200,000+ products from a single source!
sales@angenechem.com
6412-89-1 | 2-PHENYL-4-PIPERONYLIDENE-2-OXAZOLIN-5-ONE
CAS No: 6412-89-1 Catalog No: AG00ED7V MDL No:MFCD00022965
Product Description
Catalog Number:
AG00ED7V
Chemical Name:
2-PHENYL-4-PIPERONYLIDENE-2-OXAZOLIN-5-ONE
CAS Number:
6412-89-1
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
MDL Number:
MFCD00022965
IUPAC Name:
4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C17H11NO4/c19-17-13(18-16(22-17)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)21-10-20-14/h1-9H,10H2
InChI Key:
RKXHYEBOSSBZSH-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C\c1ccc2c(c1)OCO2)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Study on the second-order optical behavior of 4-(substituted-benzylidene)-2-phenyl-4H-oxazol-5-one. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040601 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.