200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 182917-78-8
182917-78-8 | 1,3-Butanedione, 2-(2-imidazolidinylidene)-1-phenyl-
CAS No: 182917-78-8 Catalog No: AG00248H MDL No:
Product Description
Catalog Number:
AG00248H
Chemical Name:
1,3-Butanedione, 2-(2-imidazolidinylidene)-1-phenyl-
CAS Number:
182917-78-8
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxy-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C13H14N2O2/c1-9(16)11(13-14-7-8-15-13)12(17)10-5-3-2-4-6-10/h2-6,17H,7-8H2,1H3,(H,14,15)
InChI Key:
UONPCVSLJNQNAY-UHFFFAOYSA-N
SMILES:
O=C(C(=C1NCCN1)C(=O)C)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.