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39567-76-5 | 7-methylimidazo[1,2-a]pyrimidin-5(8H)-one
CAS No: 39567-76-5 Catalog No: AG00J95L MDL No:MFCD09455049
Product Description
Catalog Number:
AG00J95L
Chemical Name:
7-methylimidazo[1,2-a]pyrimidin-5(8H)-one
CAS Number:
39567-76-5
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
MDL Number:
MFCD09455049
IUPAC Name:
7-methyl-8H-imidazo[1,2-a]pyrimidin-5-one
InChI:
InChI=1S/C7H7N3O/c1-5-4-6(11)10-3-2-8-7(10)9-5/h2-4H,1H3,(H,8,9)
InChI Key:
DGIMBVGOMSXDFW-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n2c([nH]1)ncc2
NSC Number:
663549
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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