Home Nitriles 1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

CAS No.:
149139-42-4
Catalog Number:
AG01C01S
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
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Product Description
Catalog Number:
AG01C01S
Chemical Name:
1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CAS Number:
149139-42-4
Molecular Formula:
C6H7N3O
Molecular Weight:
137.1393
MDL Number:
MFCD13193134
IUPAC Name:
1-(2-hydroxyethyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C6H7N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-2H2
InChI Key:
QNVZNWVEPSFMRL-UHFFFAOYSA-N
SMILES:
OCCn1cc(cn1)C#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.142g/mol
Monoisotopic Mass:
137.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties