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Home > Indoles and Oxindole > 118-29-6
118-29-6 | 2-(Hydroxymethyl)isoindoline-1,3-dione
CAS No: 118-29-6 Catalog No: AG003SEJ MDL No:MFCD00005899
Product Description
Catalog Number:
AG003SEJ
Chemical Name:
2-(Hydroxymethyl)isoindoline-1,3-dione
CAS Number:
118-29-6
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00005899
IUPAC Name:
2-(hydroxymethyl)isoindole-1,3-dione
InChI:
InChI=1S/C9H7NO3/c11-5-10-8(12)6-3-1-2-4-7(6)9(10)13/h1-4,11H,5H2
InChI Key:
MNSGOOCAMMSKGI-UHFFFAOYSA-N
SMILES:
OCN1C(=O)c2c(C1=O)cccc2
EC Number:
204-241-4
UNII:
G8L8BA278J
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Determination of phosmet and its metabolites in olives by matrix solid-phase dispersion and gas chromatography-mass spectrometry. | Talanta 20070930 |
| Synthesis and anti-inflammatory activity of N-phthalimidomethyl 2,3-dideoxy- and 2,3-unsaturated glycosides. | Carbohydrate research 20070702 |
| Photolysis experiments on phosmet, an organophosphorus insecticide. | Journal of agricultural and food chemistry 20030924 |
| Synthesis and hypolipidemic activity of N-phthalimidomethyl tetra-O-acyl-alpha-D-mannopyranosides. | Carbohydrate research 20010604 |
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