M-Methylphenylacetonitrile

CAT: 0931-T33456-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T33456-01Size:100 mg

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CAS Number

2947-60-6

Target

Others

Related Pathways

Others

Bioactivity

M-Methylphenylacetonitrile is a bioactive chemical.

Smiles

Cc1cccc(CC#N)c1

Molecular Formula

C9H9N

Molecular Weight

131.17

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

m-Methylphenylacetonitrile

CAS Number	2947-60-6
PubChem CID	76279
IUPAC Name	2-(3-methylphenyl)acetonitrile
Molecular Formula	C9H9N
Molecular Weight	131.17
XLogP	2.1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	142

SMILES

CC1=CC(=CC=C1)CC#N

InChI

InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3

InChIKey

WOJADIOTNFDWNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2947-60-6

CID: 76279

Formula: C9H9N

MW: 131.17

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	131.17
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	131.073499291
Monoisotopic Mass	131.073499291
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19223103-01	M-Methylphenylacetonitrile
OR936420-01	Alpha-methylphenylacetonitrile
OR350270	4-Methylphenylacetonitrile
418858-01	2-Methylphenylacetonitrile
ADA39157	4-Methoxy-3-methylphenylacetonitrile
sc-280441	4-Methoxy-2-methylphenylacetonitrile
sc-318761	5-Fluoro-2-methylphenylacetonitrile
OR350248-01	3-Methoxy-4-methylphenylacetonitrile
PC9909	2-Fluoro-3-methylphenylacetonitrile
PC5919-01	3-Fluoro-5-methylphenylacetonitrile

M-Methylphenylacetonitrile

Chemical Information

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