Home Nitriles 2-(hydroxymethyl)thiophene-3-carbonitrile

2-(hydroxymethyl)thiophene-3-carbonitrile

CAS No.:
106449-27-8
Catalog Number:
AG01EMAA
Molecular Formula:
C6H5NOS
Molecular Weight:
139.1750
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Product Description
Catalog Number:
AG01EMAA
Chemical Name:
2-(hydroxymethyl)thiophene-3-carbonitrile
CAS Number:
106449-27-8
Molecular Formula:
C6H5NOS
Molecular Weight:
139.1750
MDL Number:
MFCD28059603
IUPAC Name:
2-(hydroxymethyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C6H5NOS/c7-3-5-1-2-9-6(5)4-8/h1-2,8H,4H2
InChI Key:
RLQNJSGRXONSHV-UHFFFAOYSA-N
SMILES:
OCc1sccc1C#N
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.009g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.172g/mol
Monoisotopic Mass:
139.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties