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115098-69-6,MFCD12047719
Catalog No.:AA000FTA

115098-69-6 | 3-(1-Hydroxyethyl)benzonitrile

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000FTA
Chemical Name:
3-(1-Hydroxyethyl)benzonitrile
CAS Number:
115098-69-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD12047719
SMILES:
N#Cc1cccc(c1)C(O)C
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:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Patent:WO2019/175897,2019,A1.Locationinpatent:Paragraph00098

[2]JournalofOrganicChemistry,2014,vol.79,p.9150-9160

[3]Patent:US2009/170886,2009,A1.Locationinpatent:Page/Pagecolumn18;30

[4]EuropeanJournalofOrganicChemistry,2002,p.3326-3335

[5]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn55

[6]OrganicandBiomolecularChemistry,2011,vol.9,p.5863-5870

Literature
Quotation Request
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SDS
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Tags:115098-69-6 Molecular Formula|115098-69-6 MDL|115098-69-6 SMILES|115098-69-6 3-(1-Hydroxyethyl)benzonitrile
Catalog No.: AA000FTA
115098-69-6,MFCD12047719
115098-69-6 | 3-(1-Hydroxyethyl)benzonitrile
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA000FTA
Chemical Name: 3-(1-Hydroxyethyl)benzonitrile
CAS Number: 115098-69-6
Molecular Formula: C9H9NO
Molecular Weight: 147.1739
MDL Number: MFCD12047719
SMILES: N#Cc1cccc(c1)C(O)C
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: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
6136-68-1    115098-69-6 

[1]Patent:WO2019/175897,2019,A1.Locationinpatent:Paragraph00098

[2]JournalofOrganicChemistry,2014,vol.79,p.9150-9160

[3]Patent:US2009/170886,2009,A1.Locationinpatent:Page/Pagecolumn18;30

[4]EuropeanJournalofOrganicChemistry,2002,p.3326-3335

[5]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn55

[6]OrganicandBiomolecularChemistry,2011,vol.9,p.5863-5870

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