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Indolin-3-one

CAT: 1299-RG-E140312-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E140312-04Size:100 mg
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CAS Number
3260-61-5
Synonyms
Indolin-3-one
Molecular Formula
C8H7NO
Molecular Weight
133.15
Product Name Synonym
Indolin-3-one

Chemical Information

1,2-dihydro-3H-indol-3-one

Indolin-3-one is an indolinone.

CAS Number3260-61-5
PubChem CID230915
IUPAC Name1,2-dihydroindol-3-one
Molecular FormulaC8H7NO
Molecular Weight133.15
XLogP1.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity155
SMILES
C1C(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-4,9H,5H2
InChIKey
LIRDJALZRPAZOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-dihydro-3H-indol-3-one
CAS: 3260-61-5
CID: 230915
Formula: C8H7NO
MW: 133.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight133.15
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass133.052763847
Monoisotopic Mass133.052763847
Topological Polar Surface Area29.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity155
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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