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19437-20-8 | 1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-oxo-2-phenylethyl)-
CAS No: 19437-20-8 Catalog No: AG00I323 MDL No:MFCD00060520
Product Description
Catalog Number:
AG00I323
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1-methyl-2-oxo-2-phenylethyl)-
CAS Number:
19437-20-8
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD00060520
IUPAC Name:
2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChI Key:
CKLKGWHINGNHOK-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(C1=O)cccc2)C(=O)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Chemical analysis of four capsules containing the controlled substance analogues 4-methylmethcathinone, 2-fluoromethamphetamine, alpha-phthalimidopropiophenone and N-ethylcathinone. | Forensic science international 20100415 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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