Benzonitrile, 3-acetyl-4-hydroxy-


Chemical Name: Benzonitrile, 3-acetyl-4-hydroxy-
CAS Number: 35794-84-4
Product Number: AG003ITC(AGN-PC-0NIM0F)
Synonyms:
MDL No: MFCD00100432
Molecular Formula: C9H7NO2
Molecular Weight: 161.1574

Identification/Properties


Properties
MP:
106-109°C
BP:
313.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
161.16g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
161.048g/mol
Monoisotopic Mass:
161.048g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
228
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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