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Structure

Benzeneacetonitrile,3-methoxy-4-methyl-

CAS
64829-31-8
Catalog Number
ACM64829318
Category
Other Products
Molecular Weight
161.2
Molecular Formula
C10H11NO

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Specification

Synonyms
NSC148961, CID288219, ZINC01734342, BBV-27025844, 64829-31-8
IUPAC Name
2-(3-methoxy-4-methylphenyl)acetonitrile
Canonical SMILES
CC1=C(C=C(C=C1)CC#N)OC
InChI Key
KRGXHARSWLJCGO-UHFFFAOYSA-N
Boiling Point
176ºC 25mm
Flash Point
116.6ºC
Density
1.07 g/cm³
Exact Mass
161.08400
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
26-36/37/39
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