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3-Methoxypropionitrile

CAT: 0572-TRC-M332298-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M332298-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110-67-8
Hazard Statement
No Data Available
Smiles
COCCC#N
Molecular Formula
C4H7NO
Molecular Weight
85.1
Shipping Conditions
Room Temperature

Chemical Information

Propanenitrile, 3-methoxy-
CAS Number110-67-8
PubChem CID61032
IUPAC Name3-methoxypropanenitrile
Molecular FormulaC4H7NO
Molecular Weight85.10
XLogP-0.2
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity61
SMILES
COCCC#N
InChI
InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3
InChIKey
OOWFYDWAMOKVSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanenitrile, 3-methoxy-
CAS: 110-67-8
CID: 61032
Formula: C4H7NO
MW: 85.10
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight85.10
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass85.052763847
Monoisotopic Mass85.052763847
Topological Polar Surface Area33 Ų
Heavy Atom Count6
Formal Charge0
Complexity61.2
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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Alternative Products

CatalogName
OR1030712-013-Methoxypropionitrile
M09440-013-Methoxypropionitrile 99%
282269-01(R) - (+) -2-Methoxypropionitrile
sc-212828(S) - (-) -2-Methoxypropionitrile
M3264-43S- (-) -2-Methoxypropionitrile
MBS6096053-01(S)-(-)-2-Methoxypropionitrile
MBS6038491-01(R)-(+)-2-Methoxypropionitrile
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-013- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-013- (3,3,3-Trifluoropropyl) aniline

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