Benzeneacetonitrile, 3-methoxy-4-methyl-


Chemical Name: Benzeneacetonitrile, 3-methoxy-4-methyl-
CAS Number: 64829-31-8
Product Number: AG003JMX(AGN-PC-0JP9YT)
Synonyms:
MDL No: MFCD00060309
Molecular Formula: C10H11NO
Molecular Weight: 161.2004

Identification/Properties


Properties
BP:
277.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
161.204g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
161.084g/mol
Monoisotopic Mass:
161.084g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
182
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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