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35794-84-4,MFCD00100432
Catalog No.:AA003IQK
35794-84-4 | 2-Acetyl-4-cyanophenol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$49.00   $34.00
- +
10g
98%
in stock  
$437.00   $306.00
- +
25g
98%
in stock  
$881.00   $617.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IQK
Chemical Name:
2-Acetyl-4-cyanophenol
CAS Number:
35794-84-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00100432
IUPAC Name:
3-acetyl-4-hydroxybenzonitrile
InChI:
InChI=1S/C9H7NO2/c1-6(11)8-4-7(5-10)2-3-9(8)12/h2-4,12H,1H3
InChI Key:
HSZUUVJFZOGAMB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(=O)C)O
Properties
Computed Properties
 
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-Acetyl-4-cyanophenol 
35794-84-4 
CTK4H5359 
DTXSID10490817 
3-Acetyl-4-hydroxy-benzonit rile 
HSZUUVJFZOGAMB-UHFFFAOYSA-N 
ACT00741 
KS-000001WW 
ZINC2575299 
ANW-49625 
MFCD00100432 
RW1195 
3-acetyl-4-hydroxybenzonitrile 
RW3691 
3-CYANO-6-HYDROXYACETOPHENONE 
AKOS005145929 
AS05152 
CS-W002371 
FS-3051 
QC-2329 
RP22401 
RP22412 
RTR-014764 
Benzonitrile, 3-acetyl-4-hydroxy- 
TRA0068591 
VZ30270 
AJ-42373 
AK-34831 
BR-34831 
SC-67995 
SY022056 
AB0024454 
DB-005907 
ST2416303 
5-cyano-2-hydroxyacetophenone 
TR-014764 
4CH-000713 
AM20040276 
FT-0080351 
FT-0650862 
W5730 
S-4937 
MFCD00100432 (97+%) 
I01-8494 
J-507698 
3-Acetyl-4-hydroxy-benzonitrile 
4'-Cyano-2'-hydroxyacetophenone[2-acetyl-4-cyanophenol] 
C9H7NO2 
Benzonitrile, 3-acetyl-4-hydroxy- (6CI,7CI,9CI) 
N/A 
Benzonitrile,3-acetyl-4-hydroxy- 
ACMC-1AFVC 
SCHEMBL311893 
3-ACETYL-4-CYANOPHENOL 
Literature
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