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Indoline-7-carbaldehyde

CAT: 0127-OR78067-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR78067-01Size:100 mg
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CAS Number
143262-21-9
MDL Number
MFCD01318582
Purity
97%
Smiles
O=CC1=C2C(=CC=C1)CCN2

Chemical Information

Indoline-7-carboxaldehyde
CAS Number143262-21-9
PubChem CID1481333
IUPAC Name2,3-dihydro-1H-indole-7-carbaldehyde
Molecular FormulaC9H9NO
Molecular Weight147.17
XLogP1.4
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1CNC2=C1C=CC=C2C=O
InChI
InChI=1S/C9H9NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-3,6,10H,4-5H2
InChIKey
SJROBXXAXJAJOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indoline-7-carboxaldehyde
CAS: 143262-21-9
CID: 1481333
Formula: C9H9NO
MW: 147.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.17
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass147.068413911
Monoisotopic Mass147.068413911
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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Alternative Products

CatalogName
sc-3502415- (chloroacetyl) indoline-1-carbaldehyde
GTR19252900-01Indoline-7-carboxaldehyde
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RG-A261323-01Indoline-6,7-Diol
ZGA53967-01N-Boc-indoline-7-carboxaldehyde
NAC14213-015-Methoxy-7-nitro-indoline
MBS6042514-01Indoline
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