Home Nitriles 1-Ethyl-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

1-Ethyl-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile

CAS No.:
1330756-12-1
Catalog Number:
AG00HSQR
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00HSQR
Chemical Name:
1-Ethyl-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
CAS Number:
1330756-12-1
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD19982743
IUPAC Name:
1-ethyl-6-oxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H7N3O/c1-2-10-5-9-4-6(3-8)7(10)11/h4-5H,2H2,1H3
InChI Key:
ALNOIJZZESNXAU-UHFFFAOYSA-N
SMILES:
N#Cc1cncn(c1=O)CC
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties