Benzonitrile, 2-hydroxy-5-methoxy-


Chemical Name: Benzonitrile, 2-hydroxy-5-methoxy-
CAS Number: 39900-63-5
Product Number: AG0076KC(AGN-PC-0LW9VQ)
Synonyms:
MDL No:
Molecular Formula: C8H7NO2
Molecular Weight: 149.1467

Identification/Properties


Computed Properties
Molecular Weight:
149.149g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
149.048g/mol
Monoisotopic Mass:
149.048g/mol
Topological Polar Surface Area:
53.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
172
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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