CAS
931-70-4 Purity
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931-70-4 Purity
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3,4-Dimethoxy phenyl acetonitrile
CAS
93-17-4
Catalog Number
ACM93174
Category
Other Products
Molecular Weight
177.2
Molecular Formula
C10H11NO2
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Specification
Synonyms
2-(3,4-dimethoxyphenyl)acetonitrile;
IUPAC Name
2-(3,4-dimethoxyphenyl)acetonitrile
Canonical SMILES
COC1=C(C=C(C=C1)CC#N)OC
InChI Key
ASLSUMISAQDOOB-UHFFFAOYSA-N
Boiling Point
171-178ºC (10 mmHg)
Melting Point
62-65ºC
Flash Point
250ºC
Density
1.082 g/cm³
Appearance
White crystal
EC Number
202-225-1
Exact Mass
177.07900
Hazard Statements
T:Toxic;Xn:Harmful;
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
I; II; III
Safety Description
S22-S36/37-S45
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
What is the molecular formula of 3,4-Dimethoxy phenyl acetonitrile?
The molecular formula of 3,4-Dimethoxy phenyl acetonitrile is C10H11NO2.
What is the molecular weight of 3,4-Dimethoxy phenyl acetonitrile?
The molecular weight of 3,4-Dimethoxy phenyl acetonitrile is 177.20 g/mol.
What is the IUPAC name of 3,4-Dimethoxy phenyl acetonitrile?
The IUPAC name of 3,4-Dimethoxy phenyl acetonitrile is 2-(3,4-dimethoxyphenyl)acetonitrile.
What is the InChI of 3,4-Dimethoxy phenyl acetonitrile?
The InChI of 3,4-Dimethoxy phenyl acetonitrile is InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3.
What is the InChIKey of 3,4-Dimethoxy phenyl acetonitrile?
The InChIKey of 3,4-Dimethoxy phenyl acetonitrile is ASLSUMISAQDOOB-UHFFFAOYSA-N.
What is the canonical SMILES of 3,4-Dimethoxy phenyl acetonitrile?
The canonical SMILES of 3,4-Dimethoxy phenyl acetonitrile is COC1=C(C=C(C=C1)CC#N)OC.
What is the CAS number of 3,4-Dimethoxy phenyl acetonitrile?
The CAS number of 3,4-Dimethoxy phenyl acetonitrile is 93-17-4.
What is the XLogP3 of 3,4-Dimethoxy phenyl acetonitrile?
The XLogP3 of 3,4-Dimethoxy phenyl acetonitrile is 1.2.
What is the hydrogen bond acceptor count of 3,4-Dimethoxy phenyl acetonitrile?
The hydrogen bond acceptor count of 3,4-Dimethoxy phenyl acetonitrile is 3.
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