Thiocyanic acid, 4-hydroxy-3-methylphenyl ester


Chemical Name: Thiocyanic acid, 4-hydroxy-3-methylphenyl ester
CAS Number: 3774-53-6
Product Number: AG00C8HH(AGN-PC-0JNAJ6)
Synonyms:
MDL No:
Molecular Formula: C8H7NOS
Molecular Weight: 165.2123

Identification/Properties


Properties
MP:
73-75°C
BP:
305.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
165.21g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
165.025g/mol
Monoisotopic Mass:
165.025g/mol
Topological Polar Surface Area:
69.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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