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1027534-43-5 | Pyrazolo[1,5-a]pyriMidin-5(4H)-one
CAS No: 1027534-43-5 Catalog No: AG0008AS MDL No:MFCD14581682
Product Description
Catalog Number:
AG0008AS
Chemical Name:
Pyrazolo[1,5-a]pyriMidin-5(4H)-one
CAS Number:
1027534-43-5
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD14581682
IUPAC Name:
4H-pyrazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C6H5N3O/c10-6-2-4-9-5(8-6)1-3-7-9/h1-4H,(H,8,10)
InChI Key:
LSLIYLLMLAQRIS-UHFFFAOYSA-N
SMILES:
O=c1ccn2c(n1)cc[nH]2
Properties
Complexity:
189
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.126g/mol
Monoisotopic Mass:
135.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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