Home Other Building Blocks 101219-71-0
101219-71-0,MFCD08702986
Catalog No.:AA0003WZ
101219-71-0 | (S)-4-(1-Hydroxyethyl)benzonitrile
Pack Size
Purity
Availability
Price(USD)
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250mg
95.0%
3 weeks  
$382.00   $268.00
- +
500mg
95.0%
3 weeks  
$658.00   $461.00
- +
1g
95.0%
3 weeks  
$857.00   $600.00
- +
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Technical Information
Catalog Number:
AA0003WZ
Chemical Name:
(S)-4-(1-Hydroxyethyl)benzonitrile
CAS Number:
101219-71-0
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD08702986
IUPAC Name:
4-[(1S)-1-hydroxyethyl]benzonitrile
InChI:
InChI=1S/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m0/s1
InChI Key:
XGAVOODMMBMCKV-ZETCQYMHSA-N
SMILES:
N#Cc1ccc(cc1)[C@@H](O)C
Properties
Computed Properties
 
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
101219-71-0 
(S)-1-(4-Cyanophenyl)ethanol 
0356AA 
ANW-59135 
CI-240 
ZINC20030825 
AKOS015840153 
(S)-alpha-Methyl-4-cyanobenzyl alcohol 
(S)-(-)-1-(4-Isocyanophenyl)ethanol 
AJ-75915 
AN-34202 
Benzonitrile, 4-[(1S)-1-hydroxyethyl]- 
(S)-4-(1-hydroxyethyl)benzonitrile 
AB1006356 
DB-031194 
TC-063508 
FT-0655734 
Benzonitrile, 4-[(1S)-1-hydroxyethyl]-(9CI); 4-(1S)-Hydroxyethylbenzonitrile; 4-[1S]-Hydroxy ethyl benzoate; 4-[(1S)-1-Hydroxyethyl]benzonitrile 
C9H9NO 
(S)-1-(4-Isocyanophenyl)ethanol 
4-(1-Hydroxyethyl)benzonitrile 
4-((1s)-1-hydroxyethyl)benzonitrile 
CID11768717 
4-[(1S)-1-Hydroxyethyl]benzonitrile 
A16261 
Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI) 
219C710 
PubChem14243 
SCHEMBL4728041 
4-(1S)-hydroxyethylbenzonitrile 
CTK8B8011 
DTXSID20472048 
Literature
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