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158365-54-9,MFCD09037978
Catalog No.:AA001Q2T
158365-54-9 | 1-Naphthalenecarbonitrile, 7-methoxy-
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250mg
95%
1 week  
$207.00
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1g
95%
1 week  
$457.00
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  • Technical Information
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Technical Information
Catalog Number:
AA001Q2T
Chemical Name:
1-Naphthalenecarbonitrile, 7-methoxy-
CAS Number:
158365-54-9
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD09037978
IUPAC Name:
7-methoxynaphthalene-1-carbonitrile
InChI:
InChI=1S/C12H9NO/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-7H,1H3
InChI Key:
CTAKVWPTULZNMM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C#N)ccc2
Properties
Computed Properties
 
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
7-methoxynaphthalene-1-carbonitrile 
158365-54-9 
CTAKVWPTULZNMM-UHFFFAOYSA-N 
1-Naphthalenecarbonitrile,7-methoxy- 
7-Methoxy-naphthalene-1-carbonitrile 
MFCD09037978 
ZINC71256865 
AKOS006332474 
AN-2955 
AS-53582 
DB-083992 
FT-0723068 
7-METHOXY-1-NAPHTHONITRILE 
CID11344392 
1-Naphthalenecarbonitrile, 7-methoxy- 
1-Cyano-7-methoxynaphthalene 
7-Methoxy-1 -naphthonitrile 
7-Methoxy-1-cyanonaphthalene 
SCHEMBL3024523 
CTK4C9670 
DTXSID60462948 
Literature
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