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92-15-9 | N-(2-Methoxyphenyl);-3-oxobutanamide
CAS No: 92-15-9 Catalog No: AG003TFF MDL No:MFCD00008781
Product Description
Catalog Number:
AG003TFF
Chemical Name:
N-(2-Methoxyphenyl);-3-oxobutanamide
CAS Number:
92-15-9
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00008781
IUPAC Name:
N-(2-methoxyphenyl)-3-oxobutanamide
InChI:
InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChI Key:
KYYRTDXOHQYZPO-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(=O)CC(=O)C
EC Number:
202-131-0
UNII:
6VBR220ROM
NSC Number:
7563
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Metal-induced cyclization of thiosemicarbazones derived from beta-keto amides and beta-keto esters: open-chain and cyclized ligands in zinc(II) complexes. | Inorganic chemistry 20020325 |
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