Home Nitriles Benzonitrile, 3-hydroxy-2-(1-methylethyl)-

Benzonitrile, 3-hydroxy-2-(1-methylethyl)-

CAS No.:
1243279-74-4
Catalog Number:
AG000LV6
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG000LV6
Chemical Name:
Benzonitrile, 3-hydroxy-2-(1-methylethyl)-
CAS Number:
1243279-74-4
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD16997075
IUPAC Name:
3-hydroxy-2-propan-2-ylbenzonitrile
InChI:
InChI=1S/C10H11NO/c1-7(2)10-8(6-11)4-3-5-9(10)12/h3-5,7,12H,1-2H3
InChI Key:
VDAAYDPVNDLKLN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C(C)C)O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties