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453548-59-9 | Ethanone, 1-imidazo[1,2-a]pyrimidin-3-yl- (9CI)
CAS No: 453548-59-9 Catalog No: AG00DHHE MDL No:MFCD16038692
Product Description
Catalog Number:
AG00DHHE
Chemical Name:
Ethanone, 1-imidazo[1,2-a]pyrimidin-3-yl- (9CI)
CAS Number:
453548-59-9
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD16038692
IUPAC Name:
1-imidazo[1,2-a]pyrimidin-3-ylethanone
InChI:
InChI=1S/C8H7N3O/c1-6(12)7-5-10-8-9-3-2-4-11(7)8/h2-5H,1H3
InChI Key:
QBKNFNMOYDUGAF-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc2n1cccn2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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