4-Methylphthalimide

CAT: 0926-QBA31406-02Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-QBA31406-02Size:2.5 g

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CAS Number

40314-06-5

MDL Number

MFCD05155224

Smiles

CC1=CC2=C (C=C1) C (=O) NC2=O

Molecular Formula

C9H7NO2

Molecular Weight

161.15 g/mol

Controlled

Chemical Information

5-methyl-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number	40314-06-5
PubChem CID	5148269
IUPAC Name	5-methylisoindole-1,3-dione
Molecular Formula	C9H7NO2
Molecular Weight	161.16
XLogP	1.5
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	237

SMILES

CC1=CC2=C(C=C1)C(=O)NC2=O

InChI

InChI=1S/C9H7NO2/c1-5-2-3-6-7(4-5)9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)

InChIKey

UKRUJPIJOJHCOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40314-06-5

CID: 5148269

Formula: C9H7NO2

MW: 161.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.16
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.047678466
Monoisotopic Mass	161.047678466
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
CAA30700-01	4-Amino-N-methylphthalimide
FT75355-01	3,4,5,6-Tetrafluoro-N-methylphthalimide
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FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
AAA40687	4,4,4-Trifluorobutanal
IC20325-01	4- (4-Chlorophenyl) -4-hydroxypiperidine
BAA53282-01	4- (4-Methylbenzenesulfonate) -4-isoquinolinol
HCA98858-01	4- (4'-Bromophenyl) -4-hydroxypiperidine
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate

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