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THIOCYANIC ACID, 4-METHOXYPHENYL ESTER

CAS No.:
5285-90-5
Catalog Number:
AG01DWH7
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
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Product Description
Catalog Number:
AG01DWH7
Chemical Name:
THIOCYANIC ACID, 4-METHOXYPHENYL ESTER
CAS Number:
5285-90-5
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD03762840
IUPAC Name:
(4-methoxyphenyl) thiocyanate
InChI:
InChI=1S/C8H7NOS/c1-10-7-2-4-8(5-3-7)11-6-9/h2-5H,1H3
InChI Key:
IPIDKUNLAGUKAZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SC#N
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties