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114969-64-1 | 4-Pyrimidinecarbonitrile, 5-methoxy-
CAS No: 114969-64-1 Catalog No: AG000FHO MDL No:MFCD12755928
Product Description
Catalog Number:
AG000FHO
Chemical Name:
4-Pyrimidinecarbonitrile, 5-methoxy-
CAS Number:
114969-64-1
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD12755928
IUPAC Name:
5-methoxypyrimidine-4-carbonitrile
InChI:
InChI=1S/C6H5N3O/c1-10-6-3-8-4-9-5(6)2-7/h3-4H,1H3
InChI Key:
RWMFHPHWGAKDAO-UHFFFAOYSA-N
SMILES:
COc1cncnc1C#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:
0.2
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