200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114113-27-8
114113-27-8 | 2,3,5-Pyrrolidinetrione, 1-(4-methylphenyl)-4-(phenylmethylene)-, (Z)- (9CI)
CAS No: 114113-27-8 Catalog No: AG000ALH MDL No:
Product Description
Catalog Number:
AG000ALH
Chemical Name:
2,3,5-Pyrrolidinetrione, 1-(4-methylphenyl)-4-(phenylmethylene)-, (Z)- (9CI)
CAS Number:
114113-27-8
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
4-benzylidene-1-(4-methylphenyl)pyrrolidine-2,3,5-trione
InChI:
InChI=1S/C18H13NO3/c1-12-7-9-14(10-8-12)19-17(21)15(16(20)18(19)22)11-13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
MUJINENDHVBUGB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N1C(=O)C(=O)/C(=C/c2ccccc2)/C1=O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.