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227094-07-7,MFCD18394344
Catalog No.:AA00BG24

227094-07-7 | 4-(Hydroxymethyl)-3-methylbenzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$261.00   $183.00
- +
1g
96%
in stock  
$594.00   $416.00
- +
5g
96%
in stock  
$1,716.00 $1,202.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BG24
Chemical Name:
4-(Hydroxymethyl)-3-methylbenzonitrile
CAS Number:
227094-07-7
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18394344
SMILES:
N#Cc1ccc(c(c1)C)CO
Properties
Computed Properties
 
Complexity:
170  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

[1]Patent:EP3048103,2016,A1.Locationinpatent:Paragraph0093;0094

[2]Patent:WO2010/112461,2010,A1.Locationinpatent:Page/Pagecolumn91;92

[1]Patent:WO2014/89364,2014,A1.Locationinpatent:Paragraph00889;00890

Literature
Quotation Request
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SDS
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Tags:227094-07-7 Molecular Formula|227094-07-7 MDL|227094-07-7 SMILES|227094-07-7 4-(Hydroxymethyl)-3-methylbenzonitrile
Catalog No.: AA00BG24
227094-07-7,MFCD18394344
227094-07-7 | 4-(Hydroxymethyl)-3-methylbenzonitrile
Pack Size： 250mg
Purity： 96%
in stock
$261.00 $183.00
Pack Size： 1g
Purity： 96%
in stock
$594.00 $416.00
Pack Size： 5g
Purity： 96%
in stock
$1,716.00 $1,202.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BG24
Chemical Name: 4-(Hydroxymethyl)-3-methylbenzonitrile
CAS Number: 227094-07-7
Molecular Formula: C9H9NO
Molecular Weight: 147.1739
MDL Number: MFCD18394344
SMILES: N#Cc1ccc(c(c1)C)CO
Properties
Complexity: 170  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
27609-91-2    227094-07-7 

[1]BioorganicandMedicinalChemistryLetters,2001,vol.11,p.3161-3164

557-21-1    17100-58-2    227094-07-7 

[1]Patent:EP3048103,2016,A1.Locationinpatent:Paragraph0093;0094

[2]Patent:WO2010/112461,2010,A1.Locationinpatent:Page/Pagecolumn91;92

103261-67-2    227094-07-7 

[1]Patent:WO2014/89364,2014,A1.Locationinpatent:Paragraph00889;00890

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