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Home > Other Building Blocks > 19990-28-4
19990-28-4 | 2(5H)-Furanone, 5-[(4-acetylphenyl)imino]-
CAS No: 19990-28-4 Catalog No: AG002CFY MDL No:
Product Description
Catalog Number:
AG002CFY
Chemical Name:
2(5H)-Furanone, 5-[(4-acetylphenyl)imino]-
CAS Number:
19990-28-4
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
IUPAC Name:
5-(4-acetylphenyl)iminofuran-2-one
InChI:
InChI=1S/C12H9NO3/c1-8(14)9-2-4-10(5-3-9)13-11-6-7-12(15)16-11/h2-7H,1H3
InChI Key:
MPTUIJQPDQJRHN-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=Nc2ccc(cc2)C(=O)C)O1
NSC Number:
144232
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore. | Bioorganic & medicinal chemistry letters 20100301 |
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