Home Nitriles 2-Pyrimidinecarbonitrile, 4-methoxy-5-methyl- (9CI)

2-Pyrimidinecarbonitrile, 4-methoxy-5-methyl- (9CI)

CAS No.:
114969-87-8
Catalog Number:
AG009UR3
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
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Product Description
Catalog Number:
AG009UR3
Chemical Name:
2-Pyrimidinecarbonitrile, 4-methoxy-5-methyl- (9CI)
CAS Number:
114969-87-8
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD18816663
IUPAC Name:
4-methoxy-5-methylpyrimidine-2-carbonitrile
InChI:
InChI=1S/C7H7N3O/c1-5-4-9-6(3-8)10-7(5)11-2/h4H,1-2H3
InChI Key:
YZPQHESIVJJQES-UHFFFAOYSA-N
SMILES:
COc1nc(C#N)ncc1C
Properties
Complexity:
174  
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:
4  
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:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties