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5-INDANOL

CAT: 0013-GTR19277442-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277442-02Size:10 mg
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Description
5-INDANOL, with CAS No. 1470-94-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 5-INDANOL provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1470-94-6
Purity
≥95% (May vary between batches)
Smiles
Oc1ccc2CCCc2c1
Molecular Formula
C9H10O
Molecular Weight
134.1751
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Indanol

Indan-5-ol is a member of the class of phenols that is indan which has been hydroxylated at position 5. It is a member of phenols and a member of indanes.

CAS Number1470-94-6
PubChem CID15118
IUPAC Name2,3-dihydro-1H-inden-5-ol
Molecular FormulaC9H10O
Molecular Weight134.17
XLogP2.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1CC2=C(C1)C=C(C=C2)O
InChI
InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
InChIKey
PEHSSTUGJUBZBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Indanol
CAS: 1470-94-6
CID: 15118
Formula: C9H10O
MW: 134.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.17
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass134.073164938
Monoisotopic Mass134.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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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