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6-Isopropyl indole

CAT: 0572-TRC-I918538-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I918538-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32996-24-0
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)c1ccc2cc[nH]c2c1
Molecular Formula
C11H13N
Molecular Weight
159.22
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Isopropylindole
CAS Number32996-24-0
PubChem CID16217960
IUPAC Name6-propan-2-yl-1H-indole
Molecular FormulaC11H13N
Molecular Weight159.23
XLogP4.1
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
CC(C)C1=CC2=C(C=C1)C=CN2
InChI
InChI=1S/C11H13N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3-8,12H,1-2H3
InChIKey
UUNKRAWCQSWCJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Isopropylindole
CAS: 32996-24-0
CID: 16217960
Formula: C11H13N
MW: 159.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight159.23
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass159.104799419
Monoisotopic Mass159.104799419
Topological Polar Surface Area15.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
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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