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55662-68-5 | Imidazo[1,2-a]pyrimidin-5(1H)-one
CAS No: 55662-68-5 Catalog No: AG00DJ6H MDL No:MFCD19216604
Product Description
Catalog Number:
AG00DJ6H
Chemical Name:
Imidazo[1,2-a]pyrimidin-5(1H)-one
CAS Number:
55662-68-5
Molecular Formula:
C6H5N3O
Molecular Weight:
135.1234
MDL Number:
MFCD19216604
IUPAC Name:
1H-imidazo[1,2-a]pyrimidin-5-one
InChI:
InChI=1S/C6H5N3O/c10-5-1-2-7-6-8-3-4-9(5)6/h1-4H,(H,7,8)
InChI Key:
UUHMFGQYTIQQIS-UHFFFAOYSA-N
SMILES:
O=c1cc[nH]c2n1ccn2
Properties
Complexity:
264
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:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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