Home Nitriles 2-Pyrimidinecarbonitrile, 4-methoxy-

2-Pyrimidinecarbonitrile, 4-methoxy-

CAS No.:
94789-37-4
Catalog Number:
AG00IIJD
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IIJD
Chemical Name:
2-Pyrimidinecarbonitrile, 4-methoxy-
CAS Number:
94789-37-4
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD13705422
IUPAC Name:
4-methoxypyrimidine-2-carbonitrile
InChI:
InChI=1S/C6H5N3O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,1H3
InChI Key:
POLUXOCVEJOPOJ-UHFFFAOYSA-N
SMILES:
COc1ccnc(n1)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:
135.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties