Home Nitriles 5-forMyl-1H-Pyrrole-3-carbonitrile

5-forMyl-1H-Pyrrole-3-carbonitrile

CAS No.:
40740-39-4
Catalog Number:
AG00CN9L
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
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Product Description
Catalog Number:
AG00CN9L
Chemical Name:
5-forMyl-1H-Pyrrole-3-carbonitrile
CAS Number:
40740-39-4
Molecular Formula:
C6H4N2O
Molecular Weight:
120.1088
MDL Number:
MFCD12923777
IUPAC Name:
5-formyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C6H4N2O/c7-2-5-1-6(4-9)8-3-5/h1,3-4,8H
InChI Key:
NWFVPMMFARCLEP-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]cc(c1)C#N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
120.111g/mol
Monoisotopic Mass:
120.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties