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Indolin-6-ylmethanol

CAT: 0127-OR83244-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR83244-01Size:100 mg
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CAS Number
1314908-30-9
MDL Number
MFCD03095264
Purity
95%
Smiles
OCC1=CC(NCC2)=C2C=C1

Chemical Information

(2,3-dihydro-1H-indol-6-yl)methanol
CAS Number1314908-30-9
PubChem CID20666213
IUPAC Name2,3-dihydro-1H-indol-6-ylmethanol
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1CNC2=C1C=CC(=C2)CO
InChI
InChI=1S/C9H11NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-2,5,10-11H,3-4,6H2
InChIKey
ASGMIPKABNEUSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,3-dihydro-1H-indol-6-yl)methanol
CAS: 1314908-30-9
CID: 20666213
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area32.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
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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