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1-Methylindoline-5-carbaldehyde

CAT: 0926-KCA08202-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-KCA08202-01Size:0.5 g
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CAS Number
60082-02-2
MDL Number
MFCD03208513
Smiles
CN1CCC2=C1C=CC (=C2) C=O
Molecular Formula
C10H11NO
Molecular Weight
161.2 g/mol
Controlled
No

Chemical Information

1-Methylindoline-5-carbaldehyde
CAS Number60082-02-2
PubChem CID595181
IUPAC Name1-methyl-2,3-dihydroindole-5-carbaldehyde
Molecular FormulaC10H11NO
Molecular Weight161.20
XLogP1.5
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
CN1CCC2=C1C=CC(=C2)C=O
InChI
InChI=1S/C10H11NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-3,6-7H,4-5H2,1H3
InChIKey
OZQGVTARHLDSTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylindoline-5-carbaldehyde
CAS: 60082-02-2
CID: 595181
Formula: C10H11NO
MW: 161.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.20
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.084063974
Monoisotopic Mass161.084063974
Topological Polar Surface Area20.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
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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