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4-Cyano-7-methylindan

CAT: 0572-TRC-C982105-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C982105-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15085-20-8
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
Cc1ccc(C#N)c2CCCc12
Molecular Formula
C11 H11 N
Molecular Weight
157.21
InChI
InChI=1S/C11H11N/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4H2,1H3
Additionnal Information
IUPAC name: 7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

7-Methyl-4-indancarbonitrile
CAS Number15085-20-8
PubChem CID84783
IUPAC Name7-methyl-2,3-dihydro-1H-indene-4-carbonitrile
Molecular FormulaC11H11N
Molecular Weight157.21
XLogP2.8
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity212
SMILES
CC1=C2CCCC2=C(C=C1)C#N
InChI
InChI=1S/C11H11N/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4H2,1H3
InChIKey
DGRBGVCXMGQYPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methyl-4-indancarbonitrile
CAS: 15085-20-8
CID: 84783
Formula: C11H11N
MW: 157.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.21
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass157.089149355
Monoisotopic Mass157.089149355
Topological Polar Surface Area23.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity212
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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