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153286-94-3 | Pyrimidine, 5-ethynyl-
CAS No: 153286-94-3 Catalog No: AG0037QP MDL No:MFCD01936255
Product Description
Catalog Number:
AG0037QP
Chemical Name:
Pyrimidine, 5-ethynyl-
CAS Number:
153286-94-3
Molecular Formula:
C6H4N2
Molecular Weight:
104.1094
MDL Number:
MFCD01936255
IUPAC Name:
5-ethynylpyrimidine
InChI:
InChI=1S/C6H4N2/c1-2-6-3-7-5-8-4-6/h1,3-5H
InChI Key:
GFVQKBROKWSUNG-UHFFFAOYSA-N
SMILES:
C#Cc1cncnc1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.037g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.112g/mol
Monoisotopic Mass:
104.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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