Home Nitriles 4-Formyl-1,5-dimethyl-1h-pyrrole-2-carbonitrile

4-Formyl-1,5-dimethyl-1h-pyrrole-2-carbonitrile

CAS No.:
565191-91-5
Catalog Number:
AG00E99S
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00E99S
Chemical Name:
4-Formyl-1,5-dimethyl-1h-pyrrole-2-carbonitrile
CAS Number:
565191-91-5
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD03964642
IUPAC Name:
4-formyl-1,5-dimethylpyrrole-2-carbonitrile
InChI:
InChI=1S/C8H8N2O/c1-6-7(5-11)3-8(4-9)10(6)2/h3,5H,1-2H3
InChI Key:
PYZIGRRQXKNNIR-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)C)C#N
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties