Home Nitriles Benzonitrile, 4-hydroxy-3-(1-methylethyl)- (9CI)

Benzonitrile, 4-hydroxy-3-(1-methylethyl)- (9CI)

CAS No.:
46057-54-9
Catalog Number:
AG00DO15
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
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Product Description
Catalog Number:
AG00DO15
Chemical Name:
Benzonitrile, 4-hydroxy-3-(1-methylethyl)- (9CI)
CAS Number:
46057-54-9
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD16997090
IUPAC Name:
4-hydroxy-3-propan-2-ylbenzonitrile
InChI:
InChI=1S/C10H11NO/c1-7(2)9-5-8(6-11)3-4-10(9)12/h3-5,7,12H,1-2H3
InChI Key:
RHYWJKNWORGPOY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(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:
2.3  
Properties