Home Nitriles 2-(1-Hydroxyethyl)benzonitrile

2-(1-Hydroxyethyl)benzonitrile

CAS No.:
182964-49-4
Catalog Number:
AG0024AJ
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
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Product Description
Catalog Number:
AG0024AJ
Chemical Name:
2-(1-Hydroxyethyl)benzonitrile
CAS Number:
182964-49-4
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD18826223
IUPAC Name:
2-(1-hydroxyethyl)benzonitrile
InChI:
InChI=1S/C9H9NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5,7,11H,1H3
InChI Key:
QUUYOBOUUVMQCH-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C(O)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties