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2913-97-5 | 2H-Isoindole-2-acetaldehyde, 1,3-dihydro-1,3-dioxo-
CAS No: 2913-97-5 Catalog No: AG002XFK MDL No:MFCD00023080
Product Description
Catalog Number:
AG002XFK
Chemical Name:
2H-Isoindole-2-acetaldehyde, 1,3-dihydro-1,3-dioxo-
CAS Number:
2913-97-5
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD00023080
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)acetaldehyde
InChI:
InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2
InChI Key:
LMRDBJZQDUVCQH-UHFFFAOYSA-N
SMILES:
O=CCN1C(=O)c2c(C1=O)cccc2
UNII:
IVQ56I91MS
NSC Number:
30242
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| A study of the anti-invasive properties of N-alpha-phthalimidomethyl-ketomethylene tripeptide-based metalloprotease inhibitors. | The Journal of pharmacy and pharmacology 20010301 |
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