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Indobufen impurity 6 (Standard)

CAT: 0804-HY-Z0020RSize: 1 EachDry Ice: NoHazardous: No
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Description
Methyl 2-oxo-5-indolinecarboxylate (Standard) is the analytical standard of Methyl 2-oxo-5-indolinecarboxylate. This product is intended for research and analytical applications.
CAS Number
199328-10-4
UNSPSC
12352005
Hazard Statement
H302
Target
Reference Standards
Related Pathways
Others
Smiles
O=C1NC2=C(C=C(C(OC)=O)C=C2)C1
Molecular Formula
C10H9NO3
Molecular Weight
191.19
Precautions
H302
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate
CAS Number199328-10-4
PubChem CID2773516
IUPAC Namemethyl 2-oxo-1,3-dihydroindole-5-carboxylate
Molecular FormulaC10H9NO3
Molecular Weight191.18
XLogP0.6
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity264
SMILES
COC(=O)C1=CC2=C(C=C1)NC(=O)C2
InChI
InChI=1S/C10H9NO3/c1-14-10(13)6-2-3-8-7(4-6)5-9(12)11-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey
CYBPPDZFRDSSME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2,3-dihydro-2-oxo-1H-indole-5-carboxylate
CAS: 199328-10-4
CID: 2773516
Formula: C10H9NO3
MW: 191.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.18
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass191.058243149
Monoisotopic Mass191.058243149
Topological Polar Surface Area55.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity264
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