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1196146-85-6 | Pyrimidine, 2-ethynyl-5-methyl-
CAS No: 1196146-85-6 Catalog No: AG000PAQ MDL No:
Product Description
Catalog Number:
AG000PAQ
Chemical Name:
Pyrimidine, 2-ethynyl-5-methyl-
CAS Number:
1196146-85-6
Molecular Formula:
C7H6N2
Molecular Weight:
118.1359
IUPAC Name:
2-ethynyl-5-methylpyrimidine
InChI:
InChI=1S/C7H6N2/c1-3-7-8-4-6(2)5-9-7/h1,4-5H,2H3
InChI Key:
ZDVLJTIAKJAHJF-UHFFFAOYSA-N
SMILES:
C#Cc1ncc(cn1)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.139g/mol
Monoisotopic Mass:
118.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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