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6-Methoxy-1-methylindolin-2-one

CAT: 0127-OR1049124-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1049124-01Size:100 mg
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CAS Number
7703-91-5
MDL Number
MFCD11934760
Purity
95%
Smiles
O=C1CC2C=CC(=CC=2N1C)OC

Chemical Information

6-Methoxy-1-methylindolin-2-one
CAS Number7703-91-5
PubChem CID12398169
IUPAC Name6-methoxy-1-methyl-3H-indol-2-one
Molecular FormulaC10H11NO2
Molecular Weight177.20
XLogP0.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity217
SMILES
CN1C(=O)CC2=C1C=C(C=C2)OC
InChI
InChI=1S/C10H11NO2/c1-11-9-6-8(13-2)4-3-7(9)5-10(11)12/h3-4,6H,5H2,1-2H3
InChIKey
AWVDLMBXNGKBAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-1-methylindolin-2-one
CAS: 7703-91-5
CID: 12398169
Formula: C10H11NO2
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.078978594
Monoisotopic Mass177.078978594
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity217
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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