Home Nitriles 3-(1-Methyl-1h-pyrrol-2-yl)-3-oxopropanenitrile

3-(1-Methyl-1h-pyrrol-2-yl)-3-oxopropanenitrile

CAS No.:
77640-03-0
Catalog Number:
AG0058MQ
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$263
- +
10g
96%
In Stock USA
United States
$450
- +
25g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0058MQ
Chemical Name:
3-(1-Methyl-1h-pyrrol-2-yl)-3-oxopropanenitrile
CAS Number:
77640-03-0
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD01569984
IUPAC Name:
3-(1-methylpyrrol-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H8N2O/c1-10-6-2-3-7(10)8(11)4-5-9/h2-3,6H,4H2,1H3
InChI Key:
LJGLZWHJQFTJSS-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccn1C
Properties
Complexity:
203  
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:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties