Cyclopropylacetonitrile

CAT: 0024-sc-234491Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-234491Size:5 g

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CAS Number

6542-60-5

Chemical Information

Cyclopropylacetonitrile

CAS Number	6542-60-5
PubChem CID	643447
IUPAC Name	2-cyclopropylacetonitrile
Molecular Formula	C5H7N
Molecular Weight	81.12
XLogP	1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	6
Formal Charge	0
Complexity	83

SMILES

C1CC1CC#N

InChI

InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2

InChIKey

FAUQRRGKJKMEIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6542-60-5

CID: 643447

Formula: C5H7N

MW: 81.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	81.12
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	81.057849228
Monoisotopic Mass	81.057849228
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	83.4
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

Catalog	Name
OR1028564-01	Cyclopropylacetonitrile
OR1072956-01	2-Bromo-2-cyclopropylacetonitrile
GQA24100-01	2-Amino-2-cyclopropylacetonitrile hydrochloride