200,000+ products from a single source!
sales@angenechem.com
89114-08-9 | 5(4H)-Isoxazolone, 3-phenyl-4-[(2,4,6-trimethylphenyl)methylene]-
CAS No: 89114-08-9 Catalog No: AG003ZR5 MDL No:
Product Description
Catalog Number:
AG003ZR5
Chemical Name:
5(4H)-Isoxazolone, 3-phenyl-4-[(2,4,6-trimethylphenyl)methylene]-
CAS Number:
89114-08-9
Molecular Formula:
C19H17NO2
Molecular Weight:
291.3438
IUPAC Name:
3-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]-1,2-oxazol-5-one
InChI:
InChI=1S/C19H17NO2/c1-12-9-13(2)16(14(3)10-12)11-17-18(20-22-19(17)21)15-7-5-4-6-8-15/h4-11H,1-3H3
InChI Key:
JCCAOHVUEXIFQM-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)C=C1C(=O)ON=C1c1ccccc1
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.35g/mol
Monoisotopic Mass:
291.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.