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5-Methyl-2-oxindole

CAT: 0127-OR315731-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR315731-01Size:1 g
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CAS Number
3484-35-3
MDL Number
MFCD02379906
Purity
97%
Smiles
Cc1ccc2NC(=O)Cc2c1

Chemical Information

5-Methylindolin-2-one
CAS Number3484-35-3
PubChem CID5325716
IUPAC Name5-methyl-1,3-dihydroindol-2-one
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity178
SMILES
CC1=CC2=C(C=C1)NC(=O)C2
InChI
InChI=1S/C9H9NO/c1-6-2-3-8-7(4-6)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
InChIKey
HXQDSHSATAEREW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methylindolin-2-one
CAS: 3484-35-3
CID: 5325716
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity178
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