Home Nitriles Benzonitrile, 3-acetyl-2-hydroxy- (9CI)

Benzonitrile, 3-acetyl-2-hydroxy- (9CI)

CAS No.:
128546-86-1
Catalog Number:
AG00A0SE
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00A0SE
Chemical Name:
Benzonitrile, 3-acetyl-2-hydroxy- (9CI)
CAS Number:
128546-86-1
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD18826298
IUPAC Name:
3-acetyl-2-hydroxybenzonitrile
InChI:
InChI=1S/C9H7NO2/c1-6(11)8-4-2-3-7(5-10)9(8)12/h2-4,12H,1H3
InChI Key:
BXOIBVZQPXILDX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1O)C(=O)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties