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71172-63-9,MFCD00019887
Catalog No.:AA005WZV
71172-63-9 | GAMMA-METHOXYBENZENEBUTYRONITRILE
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500mg
2 weeks  
$313.00
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Technical Information
Catalog Number:
AA005WZV
Chemical Name:
GAMMA-METHOXYBENZENEBUTYRONITRILE
CAS Number:
71172-63-9
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD00019887
IUPAC Name:
4-methoxy-4-phenylbutanenitrile
InChI:
InChI=1S/C11H13NO/c1-13-11(8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8H2,1H3
InChI Key:
NBSOTRJRBXRKLZ-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)CCC#N
EC Number:
275-236-2
NSC Number:
66264
Properties
Computed Properties
 
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
4-methoxy-4-phenylbutanenitrile 
71172-63-9 
4-methoxy-4-phenylbutyronitrile 
gamma-Methoxybenzenebutanenitrile 
CTK5D3629 
4-Methoxy-4-phenyl-Mutyronitrile 
ALBB-004118 
ZX-AN004087 
8550AE 
MFCD00019887 
NSC-66264 
SBB046563 
gamma-Methoxybenzenebutyronitrile 
STK502930 
AKOS000321470 
AKOS016342129 
MCULE-2673260329 
BBV-38360358 
TR-058009 
BB 0240837 
R1388 
C11H13NO 
C11-H13-N-O 
4-Methoxy-4-phenyl-butyronitrile 
CID97991 
AR-1G3096 
7399-78-2 
NSC66264 
EINECS 275-236-2 
AC1L3ZMU 
AC1Q44FV 
AC1Q4S6L 
SCHEMBL2974616 
Literature
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