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N-Methylphthalimide

CAT: 0931-T20314-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T20314-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
550-44-7
Target
Others
Related Pathways
Others
Purity
0.9995
Bioactivity
N-Methylphthalimide is a phthalimide that inhibits acetyl-coenzyme A synthetase.
Smiles
O=C1C=2C=CC=CC2C(=O)N1C
Molecular Formula
C9H7NO2
Molecular Weight
161.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Methylphthalimide
CAS Number550-44-7
PubChem CID11074
IUPAC Name2-methylisoindole-1,3-dione
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP1.3
Topological Polar Surface Area37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity213
SMILES
CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylphthalimide
CAS: 550-44-7
CID: 11074
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area37.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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