Home Nitriles 2-hydroxy-3-tert-butyl benzonitrile

2-hydroxy-3-tert-butyl benzonitrile

CAS No.:
340131-70-6
Catalog Number:
AG00C6UE
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
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Product Description
Catalog Number:
AG00C6UE
Chemical Name:
2-hydroxy-3-tert-butyl benzonitrile
CAS Number:
340131-70-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD16999197
IUPAC Name:
3-tert-butyl-2-hydroxybenzonitrile
InChI:
InChI=1S/C11H13NO/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-6,13H,1-3H3
InChI Key:
ZKBIUKNNKXWRNQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1O)C(C)(C)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties